CID 22182665

3-amino-2-hydroxy-5-phenylpentanoic acid

Structural Information

Molecular Formula
C11H15NO3
SMILES
C1=CC=C(C=C1)CCC(C(C(=O)O)O)N
InChI
InChI=1S/C11H15NO3/c12-9(10(13)11(14)15)7-6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)
InChIKey
TWRYKSBTKJJIKA-UHFFFAOYSA-N
Compound name
3-amino-2-hydroxy-5-phenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

209.1052 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 148.0
[M+Na]+ 232.094418 152.1
[M-H]- 208.097924 147.9
[M+NH4]+ 227.139023 164.3
[M+K]+ 248.068358 150.1
[M+H-H2O]+ 192.102460 141.8
[M+HCOO]- 254.103401 167.1
[M+CH3COO]- 268.119051 184.5
[M+Na-2H]- 230.079866 149.5
[M]+ 209.10465142 144.7
[M]- 209.10574858 144.7
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