CID 77527

Phosphorodithioic acid, o,o-dimethyl ester, s-ester with n-isopropyl-2-mercaptoacetamide

Structural Information

Molecular Formula
C7H16NO3PS2
SMILES
CC(C)NC(=O)CSP(=S)(OC)OC
InChI
InChI=1S/C7H16NO3PS2/c1-6(2)8-7(9)5-14-12(13,10-3)11-4/h6H,5H2,1-4H3,(H,8,9)
InChIKey
QFDTYSDXEYRVRU-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0309 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.038176 152.5
[M+Na]+ 280.020118 157.2
[M-H]- 256.023624 151.0
[M+NH4]+ 275.064723 169.8
[M+K]+ 295.994058 155.1
[M+H-H2O]+ 240.028160 143.9
[M+HCOO]- 302.029101 168.6
[M+CH3COO]- 316.044751 195.8
[M+Na-2H]- 278.005566 149.7
[M]+ 257.03035142 157.8
[M]- 257.03144858 157.8
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.