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

90547
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.