CID 68604712

1273016-15-1

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1CCN(CC1)C2=CN=C(C=C2)C(=O)O

InChI

InChI=1S/C11H14N2O2/c14-11(15)10-5-4-9(8-12-10)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,14,15)

InChIKey

XCOUHSHXXPLMMI-UHFFFAOYSA-N

Compound name

5-piperidin-1-ylpyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 206.10553 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]+	207.112806	145.8
[M+Na]+	229.094748	151.0
[M-H]-	205.098254	147.6
[M+NH4]+	224.139353	160.7
[M+K]+	245.068688	148.2
[M+H-H2O]+	189.102790	137.4
[M+HCOO]-	251.103731	162.3
[M+CH3COO]-	265.119381	182.1
[M+Na-2H]-	227.080196	150.1
[M]+	206.10498142	140.6
[M]-	206.10607858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe