CID 527559

2-propyl-1h-pyrrole

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

CCCC1=CC=CN1

InChI

InChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h3,5-6,8H,2,4H2,1H3

InChIKey

BPPNDUBGLQQQBY-UHFFFAOYSA-N

Compound name

2-propyl-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 648
Patents: 109.08915 Da
Monoisotopic Mass: 3.3
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]+	110.09643	122.4
[M+Na]+	132.07837	133.9
[M+NH4]+	127.12297	131.4
[M+K]+	148.05231	129.1
[M-H]-	108.08187	123.5
[M+Na-2H]-	130.06382	128.7
[M]+	109.08860	124.2
[M]-	109.08970	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe