CID 210506

21269-14-7

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

COC1=CC=CC=C1OC2CCN(C2)CCCO

InChI

InChI=1S/C14H21NO3/c1-17-13-5-2-3-6-14(13)18-12-7-9-15(11-12)8-4-10-16/h2-3,5-6,12,16H,4,7-11H2,1H3

InChIKey

UWQNMHUNUGDTPE-UHFFFAOYSA-N

Compound name

3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.15215 Da
Monoisotopic Mass: 1.8
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]+	252.15943	158.4
[M+Na]+	274.14137	164.0
[M-H]-	250.14487	161.8
[M+NH4]+	269.18597	175.2
[M+K]+	290.11531	161.3
[M+H-H2O]+	234.14941	150.7
[M+HCOO]-	296.15035	178.5
[M+CH3COO]-	310.16600	191.0
[M+Na-2H]-	272.12682	160.1
[M]+	251.15160	159.1
[M]-	251.15270	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe