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

5
References

14760
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

literature stripe

Patent stripe

patents stripe