CID 272426

1-(4-methylphenyl)-1h-pyrrole

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

CC1=CC=C(C=C1)N2C=CC=C2

InChI

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

InChIKey

VYUNLDVEMSMJNP-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 337
Patents: 157.08914 Da
Monoisotopic Mass: 3.4
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]+	158.09642	131.4
[M+Na]+	180.07836	140.4
[M-H]-	156.08186	137.2
[M+NH4]+	175.12296	152.9
[M+K]+	196.05230	137.3
[M+H-H2O]+	140.08640	124.5
[M+HCOO]-	202.08734	156.4
[M+CH3COO]-	216.10299	146.0
[M+Na-2H]-	178.06381	138.0
[M]+	157.08859	131.2
[M]-	157.08969	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe