CID 207725

Propionylphosphoramidothioic acid o,s-dimethyl ester

Structural Information

Molecular Formula
C5H12NO3PS
SMILES
CCC(=O)NP(=O)(OC)SC
InChI
InChI=1S/C5H12NO3PS/c1-4-5(7)6-10(8,9-2)11-3/h4H2,1-3H3,(H,6,7,8)
InChIKey
KENBUSYZHUCSQU-UHFFFAOYSA-N
Compound name
N-[methoxy(methylsulfanyl)phosphoryl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.02756 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.034836 140.2
[M+Na]+ 220.016778 146.9
[M-H]- 196.020284 139.7
[M+NH4]+ 215.061383 160.3
[M+K]+ 235.990718 146.5
[M+H-H2O]+ 180.024820 132.7
[M+HCOO]- 242.025761 163.9
[M+CH3COO]- 256.041411 184.3
[M+Na-2H]- 218.002226 141.0
[M]+ 197.02701142 145.4
[M]- 197.02810858 145.4
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

No patent data available for this compound.