CID 20483908

1-propyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CCCN1C=CC=C1C(=O)O

InChI

InChI=1S/C8H11NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h3-4,6H,2,5H2,1H3,(H,10,11)

InChIKey

UZNOGUIVJCIQGE-UHFFFAOYSA-N

Compound name

1-propylpyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 153.07898 Da
Monoisotopic Mass: 1.4
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]+	154.08626	132.5
[M+Na]+	176.06820	143.0
[M+NH4]+	171.11280	139.8
[M+K]+	192.04214	139.9
[M-H]-	152.07170	132.2
[M+Na-2H]-	174.05365	136.9
[M]+	153.07843	133.6
[M]-	153.07953	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe