CID 4010817

2-(4-amino-1-benzylpiperidin-4-yl)acetic acid

Structural Information

Molecular Formula
C14H20N2O2
SMILES
C1CN(CCC1(CC(=O)O)N)CC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O2/c15-14(10-13(17)18)6-8-16(9-7-14)11-12-4-2-1-3-5-12/h1-5H,6-11,15H2,(H,17,18)
InChIKey
PXJMSJNGOCHGJS-UHFFFAOYSA-N
Compound name
2-(4-amino-1-benzylpiperidin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.9
[M+Na]+ 271.14170 163.0
[M-H]- 247.14520 161.5
[M+NH4]+ 266.18630 174.9
[M+K]+ 287.11564 159.6
[M+H-H2O]+ 231.14974 151.3
[M+HCOO]- 293.15068 176.2
[M+CH3COO]- 307.16633 192.3
[M+Na-2H]- 269.12715 162.1
[M]+ 248.15193 152.9
[M]- 248.15303 152.9
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

No patent data available for this compound.