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]+ 249.15976 159.1
[M+Na]+ 271.14170 168.6
[M+NH4]+ 266.18630 166.0
[M+K]+ 287.11564 163.5
[M-H]- 247.14520 161.6
[M+Na-2H]- 269.12715 164.2
[M]+ 248.15193 160.7
[M]- 248.15303 160.7
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.