CID 137964603

2228305-71-1

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC1(C2CC(C2)(O1)CO)C

InChI

InChI=1S/C8H14O2/c1-7(2)6-3-8(4-6,5-9)10-7/h6,9H,3-5H2,1-2H3

InChIKey

ITFAWQQFOIRTQT-UHFFFAOYSA-N

Compound name

(3,3-dimethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.09938 Da
Monoisotopic Mass: 0.4
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]+	143.10666	124.0
[M+Na]+	165.08860	127.8
[M+NH4]+	160.13320	132.7
[M+K]+	181.06254	125.2
[M-H]-	141.09210	120.3
[M+Na-2H]-	163.07405	122.5
[M]+	142.09883	122.4
[M]-	142.09993	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.