CID 6447463

Ethanethiol, 2-(hex-2-en-4-ynylamino)-, (e)-

Structural Information

Molecular Formula
C8H13NS
SMILES
CC#C/C=C/CNCCS
InChI
InChI=1S/C8H13NS/c1-2-3-4-5-6-9-7-8-10/h4-5,9-10H,6-8H2,1H3/b5-4+
InChIKey
GDLYRCQTGQLSKG-SNAWJCMRSA-N
Compound name
2-[[(E)-hex-2-en-4-ynyl]amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.07687 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08415 135.5
[M+Na]+ 178.06609 144.3
[M-H]- 154.06959 135.8
[M+NH4]+ 173.11069 155.0
[M+K]+ 194.04003 141.5
[M+H-H2O]+ 138.07413 124.7
[M+HCOO]- 200.07507 149.2
[M+CH3COO]- 214.09072 186.5
[M+Na-2H]- 176.05154 137.9
[M]+ 155.07632 132.2
[M]- 155.07742 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.