CID 32015

Brn 1531895

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

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

InChI

InChI=1S/C14H21NO/c1-4-8-14(10-15(2)11-14)12-6-5-7-13(9-12)16-3/h5-7,9H,4,8,10-11H2,1-3H3

InChIKey

SXZGGSCISJPTIK-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenyl)-1-methyl-3-propylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.16231 Da
Monoisotopic Mass: 3.2
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]+	220.169586	149.9
[M+Na]+	242.151528	156.5
[M-H]-	218.155034	155.2
[M+NH4]+	237.196133	163.1
[M+K]+	258.125468	157.0
[M+H-H2O]+	202.159570	138.5
[M+HCOO]-	264.160511	170.1
[M+CH3COO]-	278.176161	194.0
[M+Na-2H]-	240.136976	154.8
[M]+	219.16176142	160.3
[M]-	219.16285858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe