Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H24N.HI/c1-12(2)10-11-17-13(3)16(4,5)14-8-6-7-9-15(14)17;/h6-9,12H,10-11H2,1-5H3;1H/q+1;/p-1
SMILES CC(CC[N+]1=C(C)C(c2c1cccc2)(C)C)C.[I-]
InChI Key KHVHBJPTORFLDI-UHFFFAOYSA-M
Molecular Formula C16H24IN
Exact Mass 357.273 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KHVHBJPTORFLDI-UHFFFAOYSA-M/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/KHVHBJPTORFLDI-UHFFFAOYSA-M/CHMO0000470
Version
Author Alex Braun
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-11-13
Related Molecule
  • 2,3,3-trimethyl-1-(3-methylbutyl)indol-1-ium;iodide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139593343 PubChem
    The data in this table is sourced from UniChem at EBI.