CID 67513

Cyclooctene oxide

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CCCC2C(O2)CC1

InChI

InChI=1S/C8H14O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2

InChIKey

MELPJGOMEMRMPL-UHFFFAOYSA-N

Compound name

9-oxabicyclo[6.1.0]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 3470
Patents: 126.10446 Da
Monoisotopic Mass: 2.3
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]+	127.11174	124.1
[M+Na]+	149.09368	128.4
[M+NH4]+	144.13828	127.8
[M+K]+	165.06762	129.1
[M-H]-	125.09718	127.5
[M+Na-2H]-	147.07913	129.1
[M]+	126.10391	125.9
[M]-	126.10501	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe