CID 122501

1-benzylpyrrolidine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1CCN(C1)CC2=CC=CC=C2

InChI

InChI=1S/C11H15N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7H,4-5,8-10H2

InChIKey

CWEGCQIIDCZZED-UHFFFAOYSA-N

Compound name

1-benzylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 4086
Patents: 161.12045 Da
Monoisotopic Mass: 2.2
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	137.0
[M+Na]+	184.10967	149.5
[M+NH4]+	179.15427	146.9
[M+K]+	200.08361	143.3
[M-H]-	160.11317	141.0
[M+Na-2H]-	182.09512	145.3
[M]+	161.11990	139.9
[M]-	161.12100	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe