CID 84075989

2-oxabicyclo[2.1.1]hexan-4-ylmethanol

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1C2CC1(CO2)CO

InChI

InChI=1S/C6H10O2/c7-3-6-1-5(2-6)8-4-6/h5,7H,1-4H2

InChIKey

XUGXUXSPPQRDSO-UHFFFAOYSA-N

Compound name

2-oxabicyclo[2.1.1]hexan-4-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 114.06808 Da
Monoisotopic Mass: -0.2
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]+	115.075356	123.0
[M+Na]+	137.057298	129.6
[M-H]-	113.060804	124.0
[M+NH4]+	132.101903	146.3
[M+K]+	153.031238	132.1
[M+H-H2O]+	97.065340	117.6
[M+HCOO]-	159.066281	140.5
[M+CH3COO]-	173.081931	170.8
[M+Na-2H]-	135.042746	133.1
[M]+	114.06753142	135.7
[M]-	114.06862858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe