CID 3073817

Beta-alanine, n-acetyl-, 2-(dimethoxyphosphinyl)ethyl ester

Structural Information

Molecular Formula
C9H18NO6P
SMILES
CC(=O)NCCC(=O)OCCP(=O)(OC)OC
InChI
InChI=1S/C9H18NO6P/c1-8(11)10-5-4-9(12)16-6-7-17(13,14-2)15-3/h4-7H2,1-3H3,(H,10,11)
InChIKey
OSTVCMUGPMECGX-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylethyl 3-acetamidopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0872 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09448 159.5
[M+Na]+ 290.07642 164.6
[M+NH4]+ 285.12102 162.5
[M+K]+ 306.05036 163.3
[M-H]- 266.07992 154.7
[M+Na-2H]- 288.06187 158.6
[M]+ 267.08665 158.1
[M]- 267.08775 158.1
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.