CID 58439405

4-(2-hydroxy-2-propyl)cyclohexanol

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]+	159.13796	135.6
[M+Na]+	181.11990	144.8
[M+NH4]+	176.16450	143.6
[M+K]+	197.09384	140.4
[M-H]-	157.12340	135.8
[M+Na-2H]-	179.10535	139.3
[M]+	158.13013	136.8
[M]-	158.13123	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe