CID 85408483

Chebi:138751

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC(C)C1=CC(C(CC1O)(C)O)O

InChI

InChI=1S/C10H18O3/c1-6(2)7-4-9(12)10(3,13)5-8(7)11/h4,6,8-9,11-13H,5H2,1-3H3

InChIKey

SYRVWXFZYGDVTF-UHFFFAOYSA-N

Compound name

2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 186.1256 Da
Monoisotopic Mass: -0.2
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]+	187.13288	141.1
[M+Na]+	209.11482	150.9
[M+NH4]+	204.15942	149.6
[M+K]+	225.08876	145.2
[M-H]-	185.11832	140.9
[M+Na-2H]-	207.10027	145.3
[M]+	186.12505	142.3
[M]-	186.12615	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe