CID 14020446

1823661-22-8

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1C2CC(C1CO2)O

InChI

InChI=1S/C6H10O2/c7-6-2-5-1-4(6)3-8-5/h4-7H,1-3H2

InChIKey

HNOQJUJGVQARBI-UHFFFAOYSA-N

Compound name

2-oxabicyclo[2.2.1]heptan-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 114.06808 Da
Monoisotopic Mass: 0.0
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]+	115.07536	121.0
[M+Na]+	137.05730	128.7
[M-H]-	113.06080	123.3
[M+NH4]+	132.10190	146.9
[M+K]+	153.03124	128.7
[M+H-H2O]+	97.065340	117.9
[M+HCOO]-	159.06628	141.3
[M+CH3COO]-	173.08193	165.0
[M+Na-2H]-	135.04275	126.9
[M]+	114.06753	119.7
[M]-	114.06863	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe