CID 215552

Brn 2282142

Structural Information

Molecular Formula
C12H26NO4PS
SMILES
CCOP(=O)(OCC)SCC(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C12H26NO4PS/c1-7-16-18(15,17-8-2)19-9-12(14)13(10(3)4)11(5)6/h10-11H,7-9H2,1-6H3
InChIKey
GJUFABSMHZXHCN-UHFFFAOYSA-N
Compound name
2-diethoxyphosphorylsulfanyl-N,N-di(propan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.13202 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13930 173.8
[M+Na]+ 334.12124 177.0
[M-H]- 310.12474 173.6
[M+NH4]+ 329.16584 189.8
[M+K]+ 350.09518 177.9
[M+H-H2O]+ 294.12928 165.0
[M+HCOO]- 356.13022 194.0
[M+CH3COO]- 370.14587 212.4
[M+Na-2H]- 332.10669 169.1
[M]+ 311.13147 183.2
[M]- 311.13257 183.2
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.