CID 202285

Ethanethiol, 2-(methylamino)-

Structural Information

Molecular Formula
C3H9NS
SMILES
CNCCS
InChI
InChI=1S/C3H9NS/c1-4-2-3-5/h4-5H,2-3H2,1H3
InChIKey
NZSNWIOVGALACV-UHFFFAOYSA-N
Compound name
2-(methylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

616
Patents

91.04557 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.052846 114.8
[M+Na]+ 114.03479 122.4
[M-H]- 90.038294 115.7
[M+NH4]+ 109.07939 138.8
[M+K]+ 130.00873 121.9
[M+H-H2O]+ 74.042830 110.2
[M+HCOO]- 136.04377 134.9
[M+CH3COO]- 150.05942 166.9
[M+Na-2H]- 112.02024 120.0
[M]+ 91.045021 116.1
[M]- 91.046119 116.1
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