CID 89547

6-methyl-7-oxabicyclo[4.1.0]heptan-2-one

Structural Information

Molecular Formula
C7H10O2
SMILES
CC12CCCC(=O)C1O2
InChI
InChI=1S/C7H10O2/c1-7-4-2-3-5(8)6(7)9-7/h6H,2-4H2,1H3
InChIKey
QDIYYQQYVPMKJZ-UHFFFAOYSA-N
Compound name
6-methyl-7-oxabicyclo[4.1.0]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

126.06808 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 126.5
[M+Na]+ 149.05730 139.8
[M+NH4]+ 144.10190 138.0
[M+K]+ 165.03124 133.9
[M-H]- 125.06080 136.7
[M+Na-2H]- 147.04275 134.9
[M]+ 126.06753 132.6
[M]- 126.06863 132.6
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