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: 11
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]+	196.088756	143.3
[M+Na]+	218.070698	150.4
[M-H]-	194.074204	146.6
[M+NH4]+	213.115303	163.1
[M+K]+	234.044638	144.9
[M+H-H2O]+	178.078740	136.8
[M+HCOO]-	240.079681	159.1
[M+CH3COO]-	254.095331	155.4
[M+Na-2H]-	216.056146	146.6
[M]+	195.08093142	140.1
[M]-	195.08202858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe