CID 71757818

1359702-94-5

Structural Information

Molecular Formula

C₁₁H₁₄ClN

SMILES

C1CNCC1CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H14ClN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,7,10,13H,4-6,8H2

InChIKey

VVEHQTPUBNGBGN-UHFFFAOYSA-N

Compound name

3-[(3-chlorophenyl)methyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 195.08148 Da
Monoisotopic Mass: 2.8
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]+	196.08876	142.5
[M+Na]+	218.07070	155.6
[M+NH4]+	213.11530	152.3
[M+K]+	234.04464	149.1
[M-H]-	194.07420	146.0
[M+Na-2H]-	216.05615	150.1
[M]+	195.08093	145.6
[M]-	195.08203	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe