CID 167986

Brn 2390326

Structural Information

Molecular Formula
C11H22NO6PS
SMILES
CCOC(=O)CCNC(=O)CSP(=O)(OCC)OCC
InChI
InChI=1S/C11H22NO6PS/c1-4-16-11(14)7-8-12-10(13)9-20-19(15,17-5-2)18-6-3/h4-9H2,1-3H3,(H,12,13)
InChIKey
MUJOJUFMVIRJPQ-UHFFFAOYSA-N
Compound name
ethyl 3-[(2-diethoxyphosphorylsulfanylacetyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.09055 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09783 173.6
[M+Na]+ 350.07977 177.0
[M-H]- 326.08327 171.7
[M+NH4]+ 345.12437 188.0
[M+K]+ 366.05371 176.8
[M+H-H2O]+ 310.08781 164.5
[M+HCOO]- 372.08875 195.2
[M+CH3COO]- 386.10440 207.7
[M+Na-2H]- 348.06522 171.7
[M]+ 327.09000 183.7
[M]- 327.09110 183.7
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.