CID 12436850

4-methyl-2-phenyl-1h-pyrrole

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

CC1=CNC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C11H11N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-8,12H,1H3

InChIKey

YIAAMAHGPLMCJP-UHFFFAOYSA-N

Compound name

4-methyl-2-phenyl-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 157.08914 Da
Monoisotopic Mass: 2.7
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]+	158.09642	133.5
[M+Na]+	180.07836	147.7
[M+NH4]+	175.12296	143.3
[M+K]+	196.05230	141.7
[M-H]-	156.08186	137.5
[M+Na-2H]-	178.06381	142.9
[M]+	157.08859	136.7
[M]-	157.08969	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe