CID 107175

3804-01-1

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC1CCC(C(C1O)O)C(C)C

InChI

InChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3

InChIKey

WQFGPARDTSBVLU-UHFFFAOYSA-N

Compound name

3-methyl-6-propan-2-ylcyclohexane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1682
Patents: 172.14633 Da
Monoisotopic Mass: 1.9
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]+	173.15361	139.6
[M+Na]+	195.13555	149.4
[M+NH4]+	190.18015	147.6
[M+K]+	211.10949	144.7
[M-H]-	171.13905	140.4
[M+Na-2H]-	193.12100	142.3
[M]+	172.14578	141.0
[M]-	172.14688	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe