CID 13165124

3-isopropyl-1h-pyrrole

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

CC(C)C1=CNC=C1

InChI

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

InChIKey

DVCXAZNRWJRKHF-UHFFFAOYSA-N

Compound name

3-propan-2-yl-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 644
Patents: 109.08915 Da
Monoisotopic Mass: 1.8
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]+	110.09643	122.6
[M+Na]+	132.07837	130.1
[M-H]-	108.08187	123.6
[M+NH4]+	127.12297	145.2
[M+K]+	148.05231	128.6
[M+H-H2O]+	92.086410	117.0
[M+HCOO]-	154.08735	144.7
[M+CH3COO]-	168.10300	166.3
[M+Na-2H]-	130.06382	127.8
[M]+	109.08860	120.4
[M]-	109.08970	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe