CID 209421

19832-27-0

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c1-11(7-12(2)8-11)9-4-3-5-10(13)6-9/h3-6,13H,7-8H2,1-2H3

InChIKey

KEYPQTMTBMALPJ-UHFFFAOYSA-N

Compound name

3-(1,3-dimethylazetidin-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.11537 Da
Monoisotopic Mass: 2.0
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]+	178.12265	137.8
[M+Na]+	200.10459	145.3
[M-H]-	176.10809	142.3
[M+NH4]+	195.14919	151.9
[M+K]+	216.07853	145.6
[M+H-H2O]+	160.11263	127.2
[M+HCOO]-	222.11357	157.5
[M+CH3COO]-	236.12922	182.7
[M+Na-2H]-	198.09004	143.8
[M]+	177.11482	145.4
[M]-	177.11592	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.