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 123.7
[M+Na]+ 149.05730 135.7
[M-H]- 125.06080 130.6
[M+NH4]+ 144.10190 144.9
[M+K]+ 165.03124 135.2
[M+H-H2O]+ 109.06534 120.3
[M+HCOO]- 171.06628 145.4
[M+CH3COO]- 185.08193 174.8
[M+Na-2H]- 147.04275 131.5
[M]+ 126.06753 128.5
[M]- 126.06863 128.5
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.