CID 79925

5842-11-5

Structural Information

Molecular Formula
C8H15NS
SMILES
C=CCN(CCS)CC=C
InChI
InChI=1S/C8H15NS/c1-3-5-9(6-4-2)7-8-10/h3-4,10H,1-2,5-8H2
InChIKey
MUNCUGLIPQTLKH-UHFFFAOYSA-N
Compound name
2-[bis(prop-2-enyl)amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

157.09251 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09979 134.9
[M+Na]+ 180.08173 141.2
[M-H]- 156.08523 136.5
[M+NH4]+ 175.12633 156.8
[M+K]+ 196.05567 139.5
[M+H-H2O]+ 140.08977 129.3
[M+HCOO]- 202.09071 154.3
[M+CH3COO]- 216.10636 183.7
[M+Na-2H]- 178.06718 136.9
[M]+ 157.09196 138.0
[M]- 157.09306 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe