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]+ 127.075356 123.7
[M+Na]+ 149.057298 135.7
[M-H]- 125.060804 130.6
[M+NH4]+ 144.101903 144.9
[M+K]+ 165.031238 135.2
[M+H-H2O]+ 109.065340 120.3
[M+HCOO]- 171.066281 145.4
[M+CH3COO]- 185.081931 174.8
[M+Na-2H]- 147.042746 131.5
[M]+ 126.06753142 128.5
[M]- 126.06862858 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.