CID 15586167

Methyl carbamothioylformate

Structural Information

Molecular Formula
C3H5NO2S
SMILES
COC(=O)C(=S)N
InChI
InChI=1S/C3H5NO2S/c1-6-3(5)2(4)7/h1H3,(H2,4,7)
InChIKey
BOOOPNVCLWZMAH-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-sulfanylideneacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

119.0041 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.01138 121.1
[M+Na]+ 141.99332 128.7
[M-H]- 117.99682 121.6
[M+NH4]+ 137.03792 143.4
[M+K]+ 157.96726 128.2
[M+H-H2O]+ 102.00136 116.4
[M+HCOO]- 164.00230 139.4
[M+CH3COO]- 178.01795 168.5
[M+Na-2H]- 139.97877 123.0
[M]+ 119.00355 121.4
[M]- 119.00465 121.4
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

patents stripe