CID 4995529

66692-26-0

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

COC1=CC=C(C=C1)CC2CCCN2

InChI

InChI=1S/C12H17NO/c1-14-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h4-7,11,13H,2-3,8-9H2,1H3

InChIKey

QAMFOPPPDHATJR-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
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	143.6
[M+Na]+	214.12023	149.4
[M-H]-	190.12373	147.0
[M+NH4]+	209.16483	162.7
[M+K]+	230.09417	146.1
[M+H-H2O]+	174.12827	136.4
[M+HCOO]-	236.12921	164.0
[M+CH3COO]-	250.14486	179.8
[M+Na-2H]-	212.10568	147.0
[M]+	191.13046	140.3
[M]-	191.13156	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe