CID 115426942

1-(piperidin-4-yl)-1h-pyrrole-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1CNCCC1N2C=CC=C2C(=O)O

InChI

InChI=1S/C10H14N2O2/c13-10(14)9-2-1-7-12(9)8-3-5-11-6-4-8/h1-2,7-8,11H,3-6H2,(H,13,14)

InChIKey

UFMKVUQVTUOLCG-UHFFFAOYSA-N

Compound name

1-piperidin-4-ylpyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 194.10553 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]+	195.112806	143.6
[M+Na]+	217.094748	148.7
[M-H]-	193.098254	144.3
[M+NH4]+	212.139353	160.2
[M+K]+	233.068688	145.6
[M+H-H2O]+	177.102790	136.0
[M+HCOO]-	239.103731	159.7
[M+CH3COO]-	253.119381	176.4
[M+Na-2H]-	215.080196	145.3
[M]+	194.10498142	137.0
[M]-	194.10607858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe