CID 86535

1-cyclohexyl-1-propanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CCC(C1CCCCC1)O

InChI

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

InChIKey

JVTXOMXEPFDMHB-UHFFFAOYSA-N

Compound name

1-cyclohexylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 596
Patents: 142.13577 Da
Monoisotopic Mass: 2.9
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	134.1
[M+Na]+	165.124988	137.7
[M-H]-	141.128494	135.2
[M+NH4]+	160.169593	154.7
[M+K]+	181.098928	136.6
[M+H-H2O]+	125.133030	128.9
[M+HCOO]-	187.133971	152.0
[M+CH3COO]-	201.149621	172.7
[M+Na-2H]-	163.110436	137.5
[M]+	142.13522142	128.6
[M]-	142.13631858	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe