CID 15029963

3-(2-methoxyphenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

COC1=CC=CC=C1C2CCNC2

InChI

InChI=1S/C11H15NO/c1-13-11-5-3-2-4-10(11)9-6-7-12-8-9/h2-5,9,12H,6-8H2,1H3

InChIKey

LDHSRVLRYZPWRD-UHFFFAOYSA-N

Compound name

3-(2-methoxyphenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 177.11537 Da
Monoisotopic Mass: 1.6
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]+	178.122646	139.0
[M+Na]+	200.104588	145.3
[M-H]-	176.108094	142.6
[M+NH4]+	195.149193	158.7
[M+K]+	216.078528	142.3
[M+H-H2O]+	160.112630	132.0
[M+HCOO]-	222.113571	159.7
[M+CH3COO]-	236.129221	176.8
[M+Na-2H]-	198.090036	142.9
[M]+	177.11482142	135.4
[M]-	177.11591858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe