CID 85531

16664-07-6

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC(C)(C1CCCCC1)O

InChI

InChI=1S/C9H18O/c1-9(2,10)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3

InChIKey

SSZWOQANOUHNLV-UHFFFAOYSA-N

Compound name

2-cyclohexylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 478
Patents: 142.13577 Da
Monoisotopic Mass: 2.5
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]+	143.143046	133.3
[M+Na]+	165.124988	137.6
[M-H]-	141.128494	134.7
[M+NH4]+	160.169593	154.1
[M+K]+	181.098928	136.5
[M+H-H2O]+	125.133030	128.7
[M+HCOO]-	187.133971	150.6
[M+CH3COO]-	201.149621	172.1
[M+Na-2H]-	163.110436	138.7
[M]+	142.13522142	128.0
[M]-	142.13631858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe