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 174.5
[M+Na]+ 350.07977 178.3
[M+NH4]+ 345.12437 177.3
[M+K]+ 366.05371 174.7
[M-H]- 326.08327 169.7
[M+Na-2H]- 348.06522 172.5
[M]+ 327.09000 173.4
[M]- 327.09110 173.4
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.