CID 215557

Brn 2270161

Structural Information

Molecular Formula
C8H18NO4PS
SMILES
CCOP(=O)(OCC)SC(C)C(=O)NC
InChI
InChI=1S/C8H18NO4PS/c1-5-12-14(11,13-6-2)15-7(3)8(10)9-4/h7H,5-6H2,1-4H3,(H,9,10)
InChIKey
OLTLHEHFXVSEHC-UHFFFAOYSA-N
Compound name
2-diethoxyphosphorylsulfanyl-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06941 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07669 156.7
[M+Na]+ 278.05863 161.5
[M-H]- 254.06213 155.5
[M+NH4]+ 273.10323 174.2
[M+K]+ 294.03257 161.4
[M+H-H2O]+ 238.06667 148.4
[M+HCOO]- 300.06761 178.6
[M+CH3COO]- 314.08326 196.2
[M+Na-2H]- 276.04408 155.3
[M]+ 255.06886 163.7
[M]- 255.06996 163.7
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.