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]+ 156.084146 135.5
[M+Na]+ 178.066088 144.3
[M-H]- 154.069594 135.8
[M+NH4]+ 173.110693 155.0
[M+K]+ 194.040028 141.5
[M+H-H2O]+ 138.074130 124.7
[M+HCOO]- 200.075071 149.2
[M+CH3COO]- 214.090721 186.5
[M+Na-2H]- 176.051536 137.9
[M]+ 155.07632142 132.2
[M]- 155.07741858 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.