CID 439906

3-exo-hydroxy-1,8-cineole

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1(C2CCC(O1)(CC2O)C)C

InChI

InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3

InChIKey

WHIKIYRWRMRQNK-UHFFFAOYSA-N

Compound name

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 170.13068 Da
Monoisotopic Mass: 1.2
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]+	171.137956	138.8
[M+Na]+	193.119898	145.4
[M-H]-	169.123404	135.7
[M+NH4]+	188.164503	166.1
[M+K]+	209.093838	144.2
[M+H-H2O]+	153.127940	135.0
[M+HCOO]-	215.128881	148.3
[M+CH3COO]-	229.144531	150.3
[M+Na-2H]-	191.105346	151.1
[M]+	170.13013142	141.0
[M]-	170.13122858	141.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.