CID 556998

P-menthane-3,8-diol

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC1CCC(C(C1)O)C(C)(C)O

InChI

InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3

InChIKey

LMXFTMYMHGYJEI-UHFFFAOYSA-N

Compound name

2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 49
References: 8666
Patents: 172.14633 Da
Monoisotopic Mass: 2.2
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]+	173.15361	140.4
[M+Na]+	195.13555	145.8
[M-H]-	171.13905	140.9
[M+NH4]+	190.18015	159.9
[M+K]+	211.10949	144.0
[M+H-H2O]+	155.14359	136.3
[M+HCOO]-	217.14453	156.1
[M+CH3COO]-	231.16018	176.9
[M+Na-2H]-	193.12100	143.6
[M]+	172.14578	135.9
[M]-	172.14688	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe