CID 19882568

3-(2-methylphenyl)pyrrolidine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1=CC=CC=C1C2CCNC2

InChI

InChI=1S/C11H15N/c1-9-4-2-3-5-11(9)10-6-7-12-8-10/h2-5,10,12H,6-8H2,1H3

InChIKey

XPZIJQMOVSHKOL-UHFFFAOYSA-N

Compound name

3-(2-methylphenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 161.12045 Da
Monoisotopic Mass: 2.0
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]+	162.12773	136.9
[M+Na]+	184.10967	149.2
[M+NH4]+	179.15427	146.5
[M+K]+	200.08361	143.5
[M-H]-	160.11317	140.5
[M+Na-2H]-	182.09512	144.4
[M]+	161.11990	139.6
[M]-	161.12100	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe