CID 74839

N-acetyl-l-phenylalanine

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey
CBQJSKKFNMDLON-JTQLQIEISA-N
Compound name
(2S)-2-acetamido-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

90
References

6205
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 146.3
[M+Na]+ 230.07876 155.6
[M+NH4]+ 225.12336 152.7
[M+K]+ 246.05270 151.6
[M-H]- 206.08226 146.6
[M+Na-2H]- 228.06421 150.9
[M]+ 207.08899 147.3
[M]- 207.09009 147.3
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