CID 4247237

N-cbz-3-piperidineacetic acid

Structural Information

Molecular Formula

C₁₅H₁₉NO₄

SMILES

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C15H19NO4/c17-14(18)9-13-7-4-8-16(10-13)15(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18)

InChIKey

YVOXXKXHRGVDOF-UHFFFAOYSA-N

Compound name

2-(1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 277.1314 Da
Monoisotopic Mass: 1.9
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]+	278.138676	164.1
[M+Na]+	300.120618	167.5
[M-H]-	276.124124	166.8
[M+NH4]+	295.165223	177.2
[M+K]+	316.094558	165.1
[M+H-H2O]+	260.128660	155.7
[M+HCOO]-	322.129601	180.2
[M+CH3COO]-	336.145251	194.3
[M+Na-2H]-	298.106066	165.2
[M]+	277.13085142	161.2
[M]-	277.13194858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe