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

31
Patents

119.0041 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.011376 121.1
[M+Na]+ 141.993318 128.7
[M-H]- 117.996824 121.6
[M+NH4]+ 137.037923 143.4
[M+K]+ 157.967258 128.2
[M+H-H2O]+ 102.001360 116.4
[M+HCOO]- 164.002301 139.4
[M+CH3COO]- 178.017951 168.5
[M+Na-2H]- 139.978766 123.0
[M]+ 119.00355142 121.4
[M]- 119.00464858 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