CID 59030454

3-(2-methylphenyl)-2,5-dihydro-1h-pyrrole hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

CC1=CC=CC=C1C2=CCNC2

InChI

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

InChIKey

PNSOVQAWTULGDC-UHFFFAOYSA-N

Compound name

3-(2-methylphenyl)-2,5-dihydro-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 159.1048 Da
Monoisotopic Mass: 1.6
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	135.2
[M+Na]+	182.09402	148.4
[M+NH4]+	177.13862	144.8
[M+K]+	198.06796	142.6
[M-H]-	158.09752	139.0
[M+Na-2H]-	180.07947	143.6
[M]+	159.10425	138.1
[M]-	159.10535	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe