CID 97341

7-oxabicyclo[4.1.0]hept-3-ene

Structural Information

Molecular Formula
C6H8O
SMILES
C1C=CCC2C1O2
InChI
InChI=1S/C6H8O/c1-2-4-6-5(3-1)7-6/h1-2,5-6H,3-4H2
InChIKey
QLQSJLSVPZCPPZ-UHFFFAOYSA-N
Compound name
7-oxabicyclo[4.1.0]hept-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

290
Patents

96.05752 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 117.1
[M+Na]+ 119.04674 131.3
[M+NH4]+ 114.09134 128.1
[M+K]+ 135.02068 126.5
[M-H]- 95.050244 127.9
[M+Na-2H]- 117.03219 126.0
[M]+ 96.056971 123.3
[M]- 96.058069 123.3
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