CID 5875583

9-oxabicyclo[6.1.0]non-2-ene

Structural Information

Molecular Formula
C8H12O
SMILES
C1CCC2C(O2)/C=C\C1
InChI
InChI=1S/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h3,5,7-8H,1-2,4,6H2/b5-3-
InChIKey
TWFJMNZBFSTTNG-HYXAFXHYSA-N
Compound name
(2Z)-9-oxabicyclo[6.1.0]non-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

124.08881 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 124.0
[M+Na]+ 147.07803 128.5
[M+NH4]+ 142.12263 127.7
[M+K]+ 163.05197 129.2
[M-H]- 123.08153 127.5
[M+Na-2H]- 145.06348 129.2
[M]+ 124.08826 125.9
[M]- 124.08936 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.