CID 3041612

(methoxyacetyl)phosphoramidothioic acid o,s-dimethyl ester

Structural Information

Molecular Formula
C5H12NO4PS
SMILES
COCC(=O)NP(=O)(OC)SC
InChI
InChI=1S/C5H12NO4PS/c1-9-4-5(7)6-11(8,10-2)12-3/h4H2,1-3H3,(H,6,7,8)
InChIKey
ONGQFSMBGBCMGY-UHFFFAOYSA-N
Compound name
2-methoxy-N-[methoxy(methylsulfanyl)phosphoryl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.02246 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02974 142.8
[M+Na]+ 236.01168 149.2
[M-H]- 212.01518 142.1
[M+NH4]+ 231.05628 162.1
[M+K]+ 251.98562 149.3
[M+H-H2O]+ 196.01972 135.0
[M+HCOO]- 258.02066 166.7
[M+CH3COO]- 272.03631 186.4
[M+Na-2H]- 233.99713 143.9
[M]+ 213.02191 149.3
[M]- 213.02301 149.3
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

No patent data available for this compound.