CID 3041608

Formylphosphoramidothioic acid o,s-dimethyl ester

Structural Information

Molecular Formula
C3H8NO3PS
SMILES
COP(=O)(NC=O)SC
InChI
InChI=1S/C3H8NO3PS/c1-7-8(6,9-2)4-3-5/h3H,1-2H3,(H,4,5,6)
InChIKey
IFVHRHHATUYMKQ-UHFFFAOYSA-N
Compound name
N-[methoxy(methylsulfanyl)phosphoryl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.99625 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.00353 130.7
[M+Na]+ 191.98547 138.3
[M-H]- 167.98897 130.3
[M+NH4]+ 187.03007 151.8
[M+K]+ 207.95941 137.9
[M+H-H2O]+ 151.99351 123.4
[M+HCOO]- 213.99445 156.0
[M+CH3COO]- 228.01010 178.1
[M+Na-2H]- 189.97092 133.5
[M]+ 168.99570 135.7
[M]- 168.99680 135.7
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

No patent data available for this compound.