CID 205010

Brn 1468629

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CCCC1(CN(C1)C)C2=CC(=CC=C2)OC(=O)C

InChI

InChI=1S/C15H21NO2/c1-4-8-15(10-16(3)11-15)13-6-5-7-14(9-13)18-12(2)17/h5-7,9H,4,8,10-11H2,1-3H3

InChIKey

RNHRBVLFTLTWHO-UHFFFAOYSA-N

Compound name

[3-(1-methyl-3-propylazetidin-3-yl)phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.15723 Da
Monoisotopic Mass: 3.0
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]+	248.164506	158.1
[M+Na]+	270.146448	164.1
[M-H]-	246.149954	163.2
[M+NH4]+	265.191053	169.8
[M+K]+	286.120388	164.8
[M+H-H2O]+	230.154490	146.3
[M+HCOO]-	292.155431	177.2
[M+CH3COO]-	306.171081	198.2
[M+Na-2H]-	268.131896	161.1
[M]+	247.15668142	168.8
[M]-	247.15777858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe