CID 160866

6705-51-7

Structural Information

Molecular Formula
C6H8O
SMILES
C1CC2C(O2)C=C1
InChI
InChI=1S/C6H8O/c1-2-4-6-5(3-1)7-6/h1,3,5-6H,2,4H2
InChIKey
ILSLNOWZSKKNJQ-UHFFFAOYSA-N
Compound name
7-oxabicyclo[4.1.0]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

538
Patents

96.05752 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 116.1
[M+Na]+ 119.04674 125.9
[M-H]- 95.050244 122.4
[M+NH4]+ 114.09134 134.5
[M+K]+ 135.02068 125.9
[M+H-H2O]+ 79.054780 110.5
[M+HCOO]- 141.05572 138.1
[M+CH3COO]- 155.07137 169.0
[M+Na-2H]- 117.03219 127.0
[M]+ 96.056971 118.0
[M]- 96.058069 118.0
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