CID 77527

3928-03-8

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]+ 258.03818 152.5
[M+Na]+ 280.02012 157.2
[M-H]- 256.02362 151.0
[M+NH4]+ 275.06472 169.8
[M+K]+ 295.99406 155.1
[M+H-H2O]+ 240.02816 143.9
[M+HCOO]- 302.02910 168.6
[M+CH3COO]- 316.04475 195.8
[M+Na-2H]- 278.00557 149.7
[M]+ 257.03035 157.8
[M]- 257.03145 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.