CID 14537076

115655-41-9

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₄

SMILES

C1CN(CCC1(C(=O)O)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O4/c15-14(12(17)18)6-8-16(9-7-14)13(19)20-10-11-4-2-1-3-5-11/h1-5H,6-10,15H2,(H,17,18)

InChIKey

IGBNRWWMKJGMLH-UHFFFAOYSA-N

Compound name

4-amino-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 278.12665 Da
Monoisotopic Mass: -1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.133926	163.9
[M+Na]+	301.115868	167.9
[M-H]-	277.119374	166.6
[M+NH4]+	296.160473	178.5
[M+K]+	317.089808	165.8
[M+H-H2O]+	261.123910	156.2
[M+HCOO]-	323.124851	180.8
[M+CH3COO]-	337.140501	195.5
[M+Na-2H]-	299.101316	166.2
[M]+	278.12610142	159.4
[M]-	278.12719858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe