CID 3051039

Phosphonamidothioic acid, trimethyl-, s-methyl ester

Structural Information

Molecular Formula
C4H12NOPS
SMILES
CN(C)P(=O)(C)SC
InChI
InChI=1S/C4H12NOPS/c1-5(2)7(3,6)8-4/h1-4H3
InChIKey
JRCAWFOWOXUPGZ-UHFFFAOYSA-N
Compound name
N-methyl-N-[methyl(methylsulfanyl)phosphoryl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.03772 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.044996 130.0
[M+Na]+ 176.026938 137.4
[M-H]- 152.030444 131.2
[M+NH4]+ 171.071543 152.8
[M+K]+ 192.000878 138.0
[M+H-H2O]+ 136.034980 122.8
[M+HCOO]- 198.035921 154.7
[M+CH3COO]- 212.051571 181.7
[M+Na-2H]- 174.012386 131.3
[M]+ 153.03717142 134.7
[M]- 153.03826858 134.7
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.