CID 5352482

64042-39-3

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCCC/C=C/C1(CCCCC1)O

InChI

InChI=1S/C12H22O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h6,9,13H,2-5,7-8,10-11H2,1H3/b9-6+

InChIKey

ICOITBGCXKPDQU-RMKNXTFCSA-N

Compound name

1-[(E)-hex-1-enyl]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.16707 Da
Monoisotopic Mass: 3.5
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]+	183.17435	145.9
[M+Na]+	205.15629	149.7
[M-H]-	181.15979	146.8
[M+NH4]+	200.20089	166.9
[M+K]+	221.13023	147.0
[M+H-H2O]+	165.16433	140.9
[M+HCOO]-	227.16527	164.0
[M+CH3COO]-	241.18092	178.9
[M+Na-2H]-	203.14174	150.0
[M]+	182.16652	141.6
[M]-	182.16762	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe