Dataset

Dodecylguanidine

This MassBank record with Accession MSBNK-Eawag-EQ01123901 contains the MS2 mass spectrum of Dodecylguanidine with the InChIkey HILAYQUKKYWPJW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)
SMILES CCCCCCCCCCCCN=C(N)N
InChI Key HILAYQUKKYWPJW-UHFFFAOYSA-N
Molecular Formula C13H29N3
Exact Mass 227.236 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01123901
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:13:18.151890
MetadataModified 2025-02-09T09:55:28.988325
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL74474 ChEMBL
ZINC000001666747 ZINC
DTXSID8041907 EPA CompTox Dashboard
J56.150I Nikkaji
20208776 NMRShiftDB
SCHEMBL21643 SureChEMBL
74880 ChEBI
8204 PubChem
16387210 PubChem: Thomson Pharma
112-65-2 ACToR
RNB1NU2RGG FDA SRS
30283983 eMolecules
The data in this table is sourced from UniChem at EBI.