CID 107246

7-oxabicyclo[4.1.0]heptane, 1-oxiranyl-

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CCC2(C(C1)O2)C3CO3
InChI
InChI=1S/C8H12O2/c1-2-4-8(7-5-9-7)6(3-1)10-8/h6-7H,1-5H2
InChIKey
MJNRFYZBHDTOEX-UHFFFAOYSA-N
Compound name
1-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5777
Patents

140.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 141.4
[M+Na]+ 163.07294 148.9
[M-H]- 139.07644 150.4
[M+NH4]+ 158.11754 151.5
[M+K]+ 179.04688 152.4
[M+H-H2O]+ 123.08098 135.7
[M+HCOO]- 185.08192 156.8
[M+CH3COO]- 199.09757 152.5
[M+Na-2H]- 161.05839 149.1
[M]+ 140.08317 145.1
[M]- 140.08427 145.1
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.