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

23
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 127.6
[M+Na]+ 147.07803 133.3
[M-H]- 123.08153 130.6
[M+NH4]+ 142.12263 135.6
[M+K]+ 163.05197 134.4
[M+H-H2O]+ 107.08607 124.5
[M+HCOO]- 169.08701 137.4
[M+CH3COO]- 183.10266 134.1
[M+Na-2H]- 145.06348 131.4
[M]+ 124.08826 128.4
[M]- 124.08936 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe