CID 138039580

2241140-54-3

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CC(C)C12CC(C1)(OC2)CO

InChI

InChI=1S/C9H16O2/c1-7(2)8-3-9(4-8,5-10)11-6-8/h7,10H,3-6H2,1-2H3

InChIKey

LFARKNPHTWBYSS-UHFFFAOYSA-N

Compound name

(4-propan-2-yl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 156.11504 Da
Monoisotopic Mass: 1.0
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]+	157.12232	130.2
[M+Na]+	179.10426	133.1
[M+NH4]+	174.14886	138.6
[M+K]+	195.07820	130.8
[M-H]-	155.10776	126.2
[M+Na-2H]-	177.08971	128.3
[M]+	156.11449	128.4
[M]-	156.11559	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe