CID 4168961

88320-36-9

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

CC1=CC=C(C=C1)N2CC=CC2

InChI

InChI=1S/C11H13N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-7H,8-9H2,1H3

InChIKey

KIITUZZYCWZRQM-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)-2,5-dihydropyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 159.1048 Da
Monoisotopic Mass: 2.6
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]+	160.11208	134.6
[M+Na]+	182.09402	148.5
[M+NH4]+	177.13862	144.7
[M+K]+	198.06796	142.4
[M-H]-	158.09752	139.0
[M+Na-2H]-	180.07947	143.7
[M]+	159.10425	137.9
[M]-	159.10535	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe