CID 782385

1-(2-methoxybenzyl)pyrrolidine

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

COC1=CC=CC=C1CN2CCCC2

InChI

InChI=1S/C12H17NO/c1-14-12-7-3-2-6-11(12)10-13-8-4-5-9-13/h2-3,6-7H,4-5,8-10H2,1H3

InChIKey

ISUHSQYAFAENJM-UHFFFAOYSA-N

Compound name

1-[(2-methoxyphenyl)methyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 41
Patents: 191.13101 Da
Monoisotopic Mass: 2.3
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]+	192.13829	143.1
[M+Na]+	214.12023	149.4
[M-H]-	190.12373	147.9
[M+NH4]+	209.16483	162.9
[M+K]+	230.09417	147.0
[M+H-H2O]+	174.12827	135.6
[M+HCOO]-	236.12921	165.0
[M+CH3COO]-	250.14486	182.4
[M+Na-2H]-	212.10568	146.9
[M]+	191.13046	141.7
[M]-	191.13156	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe