CID 126863

4-menthane-1,7,8-triol

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC(C)(C1CCC(CC1)(CO)O)O

InChI

InChI=1S/C10H20O3/c1-9(2,12)8-3-5-10(13,7-11)6-4-8/h8,11-13H,3-7H2,1-2H3

InChIKey

TVWCVYDBLMOUAI-UHFFFAOYSA-N

Compound name

1-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 46
Patents: 188.14125 Da
Monoisotopic Mass: 0.1
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	142.8
[M+Na]+	211.13047	150.9
[M+NH4]+	206.17507	151.1
[M+K]+	227.10441	145.5
[M-H]-	187.13397	141.9
[M+Na-2H]-	209.11592	146.8
[M]+	188.14070	143.6
[M]-	188.14180	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe