CID 7832

3-vinyl-7-oxabicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C8H12O
SMILES
C=CC1CCC2C(C1)O2
InChI
InChI=1S/C8H12O/c1-2-6-3-4-7-8(5-6)9-7/h2,6-8H,1,3-5H2
InChIKey
SLJFKNONPLNAPF-UHFFFAOYSA-N
Compound name
3-ethenyl-7-oxabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

12954
Patents

124.08881 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 125.6
[M+Na]+ 147.07803 134.8
[M-H]- 123.08153 131.6
[M+NH4]+ 142.12263 143.0
[M+K]+ 163.05197 133.7
[M+H-H2O]+ 107.08607 120.0
[M+HCOO]- 169.08701 145.6
[M+CH3COO]- 183.10266 175.4
[M+Na-2H]- 145.06348 133.7
[M]+ 124.08826 126.5
[M]- 124.08936 126.5
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.