CID 524005

P-menthane-1,3-diol

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC(C)C1CCC(CC1O)(C)O

InChI

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

InChIKey

IIZCEIWXLSJQFP-UHFFFAOYSA-N

Compound name

1-methyl-4-propan-2-ylcyclohexane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 70
Patents: 172.14633 Da
Monoisotopic Mass: 1.6
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	140.0
[M+Na]+	195.13555	149.5
[M+NH4]+	190.18015	149.4
[M+K]+	211.10949	143.0
[M-H]-	171.13905	140.7
[M+Na-2H]-	193.12100	144.5
[M]+	172.14578	141.5
[M]-	172.14688	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe