CID 296866

2-amino-5-phenylpentanoic acid

Structural Information

Molecular Formula
C11H15NO2
SMILES
C1=CC=C(C=C1)CCCC(C(=O)O)N
InChI
InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)
InChIKey
XOQZTHUXZWQXOK-UHFFFAOYSA-N
Compound name
2-amino-5-phenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

678
Patents

193.11028 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 144.4
[M+Na]+ 216.09950 149.3
[M-H]- 192.10300 145.7
[M+NH4]+ 211.14410 162.2
[M+K]+ 232.07344 147.0
[M+H-H2O]+ 176.10754 138.1
[M+HCOO]- 238.10848 165.8
[M+CH3COO]- 252.12413 183.9
[M+Na-2H]- 214.08495 147.6
[M]+ 193.10973 142.2
[M]- 193.11083 142.2
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