CID 20735282

1220034-35-4

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

COC1=CC=CC(=C1)COC2CCNC2

InChI

InChI=1S/C12H17NO2/c1-14-11-4-2-3-10(7-11)9-15-12-5-6-13-8-12/h2-4,7,12-13H,5-6,8-9H2,1H3

InChIKey

QJUMOAJTJOCNAT-UHFFFAOYSA-N

Compound name

3-[(3-methoxyphenyl)methoxy]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 207.12593 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]+	208.13321	146.6
[M+Na]+	230.11515	152.3
[M-H]-	206.11865	150.0
[M+NH4]+	225.15975	165.0
[M+K]+	246.08909	149.6
[M+H-H2O]+	190.12319	139.2
[M+HCOO]-	252.12413	167.2
[M+CH3COO]-	266.13978	181.8
[M+Na-2H]-	228.10060	150.0
[M]+	207.12538	144.7
[M]-	207.12648	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe