CID 68664395

2-propyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CCCC1=C(C=CN1)C(=O)O

InChI

InChI=1S/C8H11NO2/c1-2-3-7-6(8(10)11)4-5-9-7/h4-5,9H,2-3H2,1H3,(H,10,11)

InChIKey

QOKLJOSQNBNSPS-UHFFFAOYSA-N

Compound name

2-propyl-1H-pyrrole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	133.0
[M+Na]+	176.06820	142.9
[M+NH4]+	171.11280	140.0
[M+K]+	192.04214	140.1
[M-H]-	152.07170	132.1
[M+Na-2H]-	174.05365	136.7
[M]+	153.07843	133.8
[M]-	153.07953	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe