CID 3016973

Schembl2535606

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C1CC(C(CCC=C1)O)O

InChI

InChI=1S/C8H14O2/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7-10H,3-6H2

InChIKey

JWEYNDRAHPIRPI-UHFFFAOYSA-N

Compound name

cyclooct-5-ene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 142.09938 Da
Monoisotopic Mass: 0.9
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]+	143.106656	139.8
[M+Na]+	165.088598	144.3
[M-H]-	141.092104	140.6
[M+NH4]+	160.133203	149.1
[M+K]+	181.062538	144.7
[M+H-H2O]+	125.096640	136.9
[M+HCOO]-	187.097581	148.6
[M+CH3COO]-	201.113231	215.9
[M+Na-2H]-	163.074046	140.7
[M]+	142.09883142	137.7
[M]-	142.09992858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe