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]+ 170.003526 130.7
[M+Na]+ 191.985468 138.3
[M-H]- 167.988974 130.3
[M+NH4]+ 187.030073 151.8
[M+K]+ 207.959408 137.9
[M+H-H2O]+ 151.993510 123.4
[M+HCOO]- 213.994451 156.0
[M+CH3COO]- 228.010101 178.1
[M+Na-2H]- 189.970916 133.5
[M]+ 168.99570142 135.7
[M]- 168.99679858 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.