CID 12740463

Rac-(1r,4r,6r)-2-oxabicyclo[2.2.1]heptan-6-ol

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1[C@@H]2C[C@H]([C@@H]1O)OC2

InChI

InChI=1S/C6H10O2/c7-5-1-4-2-6(5)8-3-4/h4-7H,1-3H2/t4-,5-,6-/m1/s1

InChIKey

YFOLSJPLSOPDLT-HSUXUTPPSA-N

Compound name

(1R,4R,6R)-2-oxabicyclo[2.2.1]heptan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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	119.9
[M+Na]+	137.05730	128.8
[M+NH4]+	132.10190	129.6
[M+K]+	153.03124	127.9
[M-H]-	113.06080	121.1
[M+Na-2H]-	135.04275	121.2
[M]+	114.06753	121.2
[M]-	114.06863	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe