CID 3773

Isonipecotic acid

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CNCCC1C(=O)O

InChI

InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)

InChIKey

SRJOCJYGOFTFLH-UHFFFAOYSA-N

Compound name

piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 49
References: 19291
Patents: 129.07898 Da
Monoisotopic Mass: -3.0
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]+	130.086256	127.3
[M+Na]+	152.068198	132.0
[M-H]-	128.071704	126.0
[M+NH4]+	147.112803	146.1
[M+K]+	168.042138	130.5
[M+H-H2O]+	112.076240	121.6
[M+HCOO]-	174.077181	143.8
[M+CH3COO]-	188.092831	164.7
[M+Na-2H]-	150.053646	131.8
[M]+	129.07843142	120.1
[M]-	129.07952858	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe