CID 878

Methanethiol

Structural Information

Molecular Formula
CH4S
SMILES
CS
InChI
InChI=1S/CH4S/c1-2/h2H,1H3
InChIKey
LSDPWZHWYPCBBB-UHFFFAOYSA-N
Compound name
methanethiol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

465
References

83162
Patents

48.003372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 49.010648 101.0
[M+Na]+ 70.992590 110.4
[M-H]- 46.996096 102.5
[M+NH4]+ 66.037195 127.1
[M+K]+ 86.966530 110.7
[M+H-H2O]+ 31.000632 97.6
[M+HCOO]- 93.001573 120.9
[M+CH3COO]- 107.01722 157.0
[M+Na-2H]- 68.978038 107.1
[M]+ 48.002823 102.6
[M]- 48.003921 102.6
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