CID 146073

89708-25-8

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(=C1CCC(C(C1)O)(C)O)C

InChI

InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h9,11-12H,4-6H2,1-3H3

InChIKey

YSAKJLXQURNWJJ-UHFFFAOYSA-N

Compound name

1-methyl-4-propan-2-ylidenecyclohexane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
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]+	171.13796	138.9
[M+Na]+	193.11990	144.9
[M-H]-	169.12340	139.7
[M+NH4]+	188.16450	160.3
[M+K]+	209.09384	142.8
[M+H-H2O]+	153.12794	135.3
[M+HCOO]-	215.12888	155.4
[M+CH3COO]-	229.14453	175.5
[M+Na-2H]-	191.10535	141.3
[M]+	170.13013	133.7
[M]-	170.13123	133.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.