CID 5806800

2-aminoethenethiol

Structural Information

Molecular Formula
C2H5NS
SMILES
C(=C/S)\N
InChI
InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1+
InChIKey
JLZMZFJVTNYDOT-OWOJBTEDSA-N
Compound name
(E)-2-aminoethenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

75.01427 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 76.021546 109.8
[M+Na]+ 98.003488 118.3
[M-H]- 74.006994 110.4
[M+NH4]+ 93.048093 134.2
[M+K]+ 113.97743 117.0
[M+H-H2O]+ 58.011530 105.6
[M+HCOO]- 120.01247 129.8
[M+CH3COO]- 134.02812 161.4
[M+Na-2H]- 95.988936 114.5
[M]+ 75.013721 109.0
[M]- 75.014819 109.0
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