CID 165355808

4,5-dimethyl-6-oxabicyclo[3.1.0]hexan-2-one

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1CC(=O)C2C1(O2)C
InChI
InChI=1S/C7H10O2/c1-4-3-5(8)6-7(4,2)9-6/h4,6H,3H2,1-2H3
InChIKey
CHYHPLDQUCLEPE-UHFFFAOYSA-N
Compound name
4,5-dimethyl-6-oxabicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.7
[M+Na]+ 149.05730 138.4
[M+NH4]+ 144.10190 136.9
[M+K]+ 165.03124 134.6
[M-H]- 125.06080 135.1
[M+Na-2H]- 147.04275 133.0
[M]+ 126.06753 131.4
[M]- 126.06863 131.4
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.