CID 11344100

Thioimidodicarbonic acid ((ho)c(o)nhc(s)(oh)), dimethyl ester

Structural Information

Molecular Formula
C4H7NO3S
SMILES
COC(=O)NC(=S)OC
InChI
InChI=1S/C4H7NO3S/c1-7-3(6)5-4(9)8-2/h1-2H3,(H,5,6,9)
InChIKey
LMKUSACNHXQRHT-UHFFFAOYSA-N
Compound name
methyl N-methoxycarbothioylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

149.01466 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.02194 128.6
[M+Na]+ 172.00388 135.9
[M-H]- 148.00738 129.5
[M+NH4]+ 167.04848 150.1
[M+K]+ 187.97782 136.0
[M+H-H2O]+ 132.01192 123.5
[M+HCOO]- 194.01286 147.5
[M+CH3COO]- 208.02851 172.9
[M+Na-2H]- 169.98933 131.2
[M]+ 149.01411 131.6
[M]- 149.01521 131.6
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

patents stripe