CID 10034878

3-(cyclohexyloxy)propan-1-ol

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

C1CCC(CC1)OCCCO

InChI

InChI=1S/C9H18O2/c10-7-4-8-11-9-5-2-1-3-6-9/h9-10H,1-8H2

InChIKey

JZISPFMRVBHTCH-UHFFFAOYSA-N

Compound name

3-cyclohexyloxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 158.13068 Da
Monoisotopic Mass: 1.6
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	136.7
[M+Na]+	181.11990	140.5
[M-H]-	157.12340	137.7
[M+NH4]+	176.16450	156.6
[M+K]+	197.09384	139.4
[M+H-H2O]+	141.12794	131.1
[M+HCOO]-	203.12888	155.8
[M+CH3COO]-	217.14453	173.8
[M+Na-2H]-	179.10535	141.4
[M]+	158.13013	133.3
[M]-	158.13123	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe