CID 3951135

3-(2-phenylacetamido)propanoic acid

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1=CC=C(C=C1)CC(=O)NCCC(=O)O
InChI
InChI=1S/C11H13NO3/c13-10(12-7-6-11(14)15)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)
InChIKey
WNJWSYAIZWDHMN-UHFFFAOYSA-N
Compound name
3-[(2-phenylacetyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

207.08954 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.6
[M+Na]+ 230.07876 150.8
[M-H]- 206.08226 147.5
[M+NH4]+ 225.12336 163.1
[M+K]+ 246.05270 148.8
[M+H-H2O]+ 190.08680 139.2
[M+HCOO]- 252.08774 168.1
[M+CH3COO]- 266.10339 185.0
[M+Na-2H]- 228.06421 150.0
[M]+ 207.08899 145.1
[M]- 207.09009 145.1
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

patents stripe