CID 6447463

Brn 5494496

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 131.2
[M+Na]+ 178.06609 140.7
[M+NH4]+ 173.11069 136.2
[M+K]+ 194.04003 129.6
[M-H]- 154.06959 124.1
[M+Na-2H]- 176.05154 132.2
[M]+ 155.07632 130.0
[M]- 155.07742 130.0
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.