CID 519335

Ns00090863

Structural Information

Molecular Formula
CH2OS
SMILES
C(=O)S
InChI
InChI=1S/CH2OS/c2-1-3/h1H,(H,2,3)
InChIKey
AWIJRPNMLHPLNC-UHFFFAOYSA-N
Compound name
methanethioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

41082
Patents

61.982635 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 62.989911 103.7
[M+Na]+ 84.971853 113.3
[M-H]- 60.975359 105.2
[M+NH4]+ 80.016458 129.1
[M+K]+ 100.945793 113.4
[M+H-H2O]+ 44.979895 100.1
[M+HCOO]- 106.980836 124.0
[M+CH3COO]- 120.996486 157.2
[M+Na-2H]- 82.957301 109.7
[M]+ 61.98208642 105.9
[M]- 61.98318358 105.9
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