CID 3017021

Schembl290146

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CCCC(=CCC1)O

InChI

InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h6,9H,1-5,7H2

InChIKey

FBMMEHJLWTZKOR-UHFFFAOYSA-N

Compound name

cycloocten-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 521
Patents: 126.10446 Da
Monoisotopic Mass: 2.7
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]+	127.111736	137.6
[M+Na]+	149.093678	141.9
[M-H]-	125.097184	138.8
[M+NH4]+	144.138283	147.4
[M+K]+	165.067618	142.4
[M+H-H2O]+	109.101720	134.6
[M+HCOO]-	171.102661	146.9
[M+CH3COO]-	185.118311	215.7
[M+Na-2H]-	147.079126	139.1
[M]+	126.10391142	135.6
[M]-	126.10500858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe