CID 16780470

1172289-43-8

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

COC1=CC=C(C=C1)CC2CNC2

InChI

InChI=1S/C11H15NO/c1-13-11-4-2-9(3-5-11)6-10-7-12-8-10/h2-5,10,12H,6-8H2,1H3

InChIKey

UIQYJVOFTBMKDD-UHFFFAOYSA-N

Compound name

3-[(4-methoxyphenyl)methyl]azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.11537 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]+	178.12265	136.7
[M+Na]+	200.10459	144.9
[M+NH4]+	195.14919	141.4
[M+K]+	216.07853	140.1
[M-H]-	176.10809	136.9
[M+Na-2H]-	198.09004	141.9
[M]+	177.11482	136.7
[M]-	177.11592	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.