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 158.8
[M+Na]+ 271.14170 161.5
[M-H]- 247.14520 161.0
[M+NH4]+ 266.18630 172.6
[M+K]+ 287.11564 158.3
[M+H-H2O]+ 231.14974 150.6
[M+HCOO]- 293.15068 175.0
[M+CH3COO]- 307.16633 193.7
[M+Na-2H]- 269.12715 159.7
[M]+ 248.15193 151.8
[M]- 248.15303 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.