CID 91463

Sobrerol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1=CCC(CC1O)C(C)(C)O

InChI

InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3

InChIKey

OMDMTHRBGUBUCO-UHFFFAOYSA-N

Compound name

5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 57
References: 3458
Patents: 170.13068 Da
Monoisotopic Mass: 0.7
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]+	171.13796	138.1
[M+Na]+	193.11990	148.5
[M+NH4]+	188.16450	146.0
[M+K]+	209.09384	143.9
[M-H]-	169.12340	138.6
[M+Na-2H]-	191.10535	142.2
[M]+	170.13013	139.6
[M]-	170.13123	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe