CID 66991180

1203707-39-4

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1C2C1(COC2)CO

InChI

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

InChIKey

XSWOPLJKFIQKGK-UHFFFAOYSA-N

Compound name

3-oxabicyclo[3.1.0]hexan-1-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 114.06808 Da
Monoisotopic Mass: -0.3
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]+	115.07536	121.1
[M+Na]+	137.05730	131.2
[M-H]-	113.06080	126.1
[M+NH4]+	132.10190	141.6
[M+K]+	153.03124	130.8
[M+H-H2O]+	97.065340	117.3
[M+HCOO]-	159.06628	141.7
[M+CH3COO]-	173.08193	168.1
[M+Na-2H]-	135.04275	130.3
[M]+	114.06753	123.8
[M]-	114.06863	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe