CID 14497353

3-(benzyloxy)pyrrolidine

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CNCC1OCC2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11/h1-5,11-12H,6-9H2

InChIKey

CWBMYKUPMLRKQK-UHFFFAOYSA-N

Compound name

3-phenylmethoxypyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 200
Patents: 177.11537 Da
Monoisotopic Mass: 1.3
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]+	178.122646	139.1
[M+Na]+	200.104588	144.4
[M-H]-	176.108094	142.3
[M+NH4]+	195.149193	158.4
[M+K]+	216.078528	141.4
[M+H-H2O]+	160.112630	131.8
[M+HCOO]-	222.113571	159.8
[M+CH3COO]-	236.129221	175.7
[M+Na-2H]-	198.090036	143.7
[M]+	177.11482142	135.1
[M]-	177.11591858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe