CID 2787611

2-(2-phenoxyacetamido)propanoic acid

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC(C(=O)O)NC(=O)COC1=CC=CC=C1
InChI
InChI=1S/C11H13NO4/c1-8(11(14)15)12-10(13)7-16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)
InChIKey
GKMBJDLBNSHJLJ-UHFFFAOYSA-N
Compound name
2-[(2-phenoxyacetyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

223.08446 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 149.1
[M+Na]+ 246.07368 157.9
[M+NH4]+ 241.11828 154.8
[M+K]+ 262.04762 154.5
[M-H]- 222.07718 148.9
[M+Na-2H]- 244.05913 153.2
[M]+ 223.08391 149.8
[M]- 223.08501 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe