CID 73809748

(1s,2s,4r,8r)-p-menthane-1,2,9-triol

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC(CO)C1CCC(C(C1)O)(C)O

InChI

InChI=1S/C10H20O3/c1-7(6-11)8-3-4-10(2,13)9(12)5-8/h7-9,11-13H,3-6H2,1-2H3

InChIKey

JHIDFPUXRICDSW-UHFFFAOYSA-N

Compound name

4-(1-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.14125 Da
Monoisotopic Mass: 0.4
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]+	189.14853	143.2
[M+Na]+	211.13047	151.7
[M+NH4]+	206.17507	151.7
[M+K]+	227.10441	146.0
[M-H]-	187.13397	142.8
[M+Na-2H]-	209.11592	146.7
[M]+	188.14070	144.1
[M]-	188.14180	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe