CID 29816

19832-26-9

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC1(CN(C1)C)C2=CC(=CC=C2)OC

InChI

InChI=1S/C12H17NO/c1-12(8-13(2)9-12)10-5-4-6-11(7-10)14-3/h4-7H,8-9H2,1-3H3

InChIKey

BBKZHHVTZDNSHC-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenyl)-1,3-dimethylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.13101 Da
Monoisotopic Mass: 2.3
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]+	192.138286	140.6
[M+Na]+	214.120228	148.1
[M-H]-	190.123734	146.3
[M+NH4]+	209.164833	154.9
[M+K]+	230.094168	149.0
[M+H-H2O]+	174.128270	129.6
[M+HCOO]-	236.129211	161.5
[M+CH3COO]-	250.144861	188.2
[M+Na-2H]-	212.105676	146.6
[M]+	191.13046142	150.4
[M]-	191.13155858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.