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

5805
Patents

140.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 141.4
[M+Na]+ 163.072938 148.9
[M-H]- 139.076444 150.4
[M+NH4]+ 158.117543 151.5
[M+K]+ 179.046878 152.4
[M+H-H2O]+ 123.080980 135.7
[M+HCOO]- 185.081921 156.8
[M+CH3COO]- 199.097571 152.5
[M+Na-2H]- 161.058386 149.1
[M]+ 140.08317142 145.1
[M]- 140.08426858 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

literature stripe

Patent stripe

patents stripe