CID 19697866

177200-76-9

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

C1CC1(CO)COCC2=CC=CC=C2

InChI

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

InChIKey

KBGZAPJNEFMKKZ-UHFFFAOYSA-N

Compound name

[1-(phenylmethoxymethyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 192.11504 Da
Monoisotopic Mass: 1.5
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]+	193.12232	145.9
[M+Na]+	215.10426	159.6
[M+NH4]+	210.14886	156.6
[M+K]+	231.07820	152.1
[M-H]-	191.10776	156.0
[M+Na-2H]-	213.08971	157.3
[M]+	192.11449	152.0
[M]-	192.11559	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe