CID 255668

4-(3-pyrrolyl)butyric acid

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C1=CNC=C1CCCC(=O)O

InChI

InChI=1S/C8H11NO2/c10-8(11)3-1-2-7-4-5-9-6-7/h4-6,9H,1-3H2,(H,10,11)

InChIKey

ZILGRACWFSKIFU-UHFFFAOYSA-N

Compound name

4-(1H-pyrrol-3-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 68
Patents: 153.07898 Da
Monoisotopic Mass: 0.8
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]+	154.086256	133.0
[M+Na]+	176.068198	139.8
[M-H]-	152.071704	132.4
[M+NH4]+	171.112803	152.9
[M+K]+	192.042138	137.4
[M+H-H2O]+	136.076240	127.1
[M+HCOO]-	198.077181	153.9
[M+CH3COO]-	212.092831	169.7
[M+Na-2H]-	174.053646	137.1
[M]+	153.07843142	131.4
[M]-	153.07952858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe