CID 12868124

Methoxycarbothioamide

Structural Information

Molecular Formula
C2H5NOS
SMILES
COC(=S)N
InChI
InChI=1S/C2H5NOS/c1-4-2(3)5/h1H3,(H2,3,5)
InChIKey
HXIRTSKHPFRRKO-UHFFFAOYSA-N
Compound name
O-methyl carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

459
Patents

91.009186 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.016462 113.9
[M+Na]+ 113.99840 121.9
[M-H]- 90.001910 114.5
[M+NH4]+ 109.04301 137.5
[M+K]+ 129.97234 121.4
[M+H-H2O]+ 74.006446 109.4
[M+HCOO]- 136.00739 133.1
[M+CH3COO]- 150.02304 164.2
[M+Na-2H]- 111.98385 117.3
[M]+ 91.008637 113.8
[M]- 91.009735 113.8
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