CID 3054972

(aminomethyl)(4-piperidinophenyl)acetic acid

Structural Information

Molecular Formula
C14H20N2O2
SMILES
C1CCN(CC1)C2=CC=C(C=C2)C(CN)C(=O)O
InChI
InChI=1S/C14H20N2O2/c15-10-13(14(17)18)11-4-6-12(7-5-11)16-8-2-1-3-9-16/h4-7,13H,1-3,8-10,15H2,(H,17,18)
InChIKey
BSWWQABRIJXCJU-UHFFFAOYSA-N
Compound name
3-amino-2-(4-piperidin-1-ylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.15248 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 158.8
[M+Na]+ 271.141698 161.5
[M-H]- 247.145204 161.0
[M+NH4]+ 266.186303 172.6
[M+K]+ 287.115638 158.3
[M+H-H2O]+ 231.149740 150.6
[M+HCOO]- 293.150681 175.0
[M+CH3COO]- 307.166331 193.7
[M+Na-2H]- 269.127146 159.7
[M]+ 248.15193142 151.8
[M]- 248.15302858 151.8
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

No patent data available for this compound.