CID 58439405

89450-28-2

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

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

InChI

InChI=1S/C9H18O2/c1-9(2,11)7-3-5-8(10)6-4-7/h7-8,10-11H,3-6H2,1-2H3

InChIKey

SWTXIPGMIMZAIE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 158.13068 Da
Monoisotopic Mass: 1.0
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]+	159.137956	136.6
[M+Na]+	181.119898	141.4
[M-H]-	157.123404	136.9
[M+NH4]+	176.164503	156.2
[M+K]+	197.093838	139.8
[M+H-H2O]+	141.127940	132.3
[M+HCOO]-	203.128881	152.6
[M+CH3COO]-	217.144531	172.7
[M+Na-2H]-	179.105346	140.8
[M]+	158.13013142	131.2
[M]-	158.13122858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe