Dataset

3-Iodopropynyl butylcarbamate

This MassBank record with Accession MSBNK-UFZ-UF418402 contains the MS2 mass spectrum of 3-Iodopropynyl butylcarbamate with the InChIkey WYVVKGNFXHOCQV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)
SMILES CCCCNC(=O)OCC#CI
InChI Key WYVVKGNFXHOCQV-UHFFFAOYSA-N
Molecular Formula C8H12INO2
Exact Mass 280.991 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF418402
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:42:52.447353
MetadataModified 2025-02-09T19:48:25.292268
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1893913 ChEMBL
ZINC000001850357 ZINC
TOYPUS CCDC
DTXSID0028038 EPA CompTox Dashboard
DB15666 DrugBank
HMDB0246958 Human Metabolome Database
3-IODO-2-PROPYNYLBUTYLCARBAMATE rxnorm
J94.789J Nikkaji
62097 PubChem
PD126843 ProbesDrugs
603P14DHEB FDA SRS
83279 ChEBI
104732-42-5 ACToR
55406-53-6 ACToR
14897575 PubChem: Thomson Pharma
516904 eMolecules
CB6334602 ChemicalBook
SCHEMBL114369 SureChEMBL
The data in this table is sourced from UniChem at EBI.