CID 85290815

(1alpha,2alpha,4betah,6alpha,8r)-p-menthane-2,6,8,9-tetrol

Structural Information

Molecular Formula

C₁₀H₂₀O₄

SMILES

CC1C(CC(CC1O)C(C)(CO)O)O

InChI

InChI=1S/C10H20O4/c1-6-8(12)3-7(4-9(6)13)10(2,14)5-11/h6-9,11-14H,3-5H2,1-2H3

InChIKey

NKYSPMJOKCOMFJ-UHFFFAOYSA-N

Compound name

5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohexane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.13615 Da
Monoisotopic Mass: -0.6
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]+	205.143426	147.2
[M+Na]+	227.125368	152.4
[M-H]-	203.128874	145.1
[M+NH4]+	222.169973	164.0
[M+K]+	243.099308	150.0
[M+H-H2O]+	187.133410	143.3
[M+HCOO]-	249.134351	160.2
[M+CH3COO]-	263.150001	177.7
[M+Na-2H]-	225.110816	148.8
[M]+	204.13560142	142.2
[M]-	204.13669858	142.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.