CID 10442570

197167-53-6

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

C1C(CC1O)COCC2=CC=CC=C2

InChI

InChI=1S/C12H16O2/c13-12-6-11(7-12)9-14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2

InChIKey

KVQOEODTOJCIPA-UHFFFAOYSA-N

Compound name

3-(phenylmethoxymethyl)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 163
Patents: 192.11504 Da
Monoisotopic Mass: 1.7
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]+	193.122316	138.1
[M+Na]+	215.104258	143.2
[M-H]-	191.107764	143.0
[M+NH4]+	210.148863	150.5
[M+K]+	231.078198	143.8
[M+H-H2O]+	175.112300	126.8
[M+HCOO]-	237.113241	159.0
[M+CH3COO]-	251.128891	184.4
[M+Na-2H]-	213.089706	143.5
[M]+	192.11449142	146.2
[M]-	192.11558858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe