CID 32015

23584-18-1

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: 0
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]+	220.16959	149.9
[M+Na]+	242.15153	156.5
[M-H]-	218.15503	155.2
[M+NH4]+	237.19613	163.1
[M+K]+	258.12547	157.0
[M+H-H2O]+	202.15957	138.5
[M+HCOO]-	264.16051	170.1
[M+CH3COO]-	278.17616	194.0
[M+Na-2H]-	240.13698	154.8
[M]+	219.16176	160.3
[M]-	219.16286	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe