CID 13541504

Rac-(1r,5r)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-one

Structural Information

Molecular Formula
C7H10O2
SMILES
C[C@]12CCO[C@H]1C(=O)C2
InChI
InChI=1S/C7H10O2/c1-7-2-3-9-6(7)5(8)4-7/h6H,2-4H2,1H3/t6-,7+/m0/s1
InChIKey
HIJMRQAPYAAINK-NKWVEPMBSA-N
Compound name
(1R,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 117.1
[M+Na]+ 149.05730 124.6
[M-H]- 125.06080 122.7
[M+NH4]+ 144.10190 136.5
[M+K]+ 165.03124 127.7
[M+H-H2O]+ 109.06534 109.9
[M+HCOO]- 171.06628 138.0
[M+CH3COO]- 185.08193 173.3
[M+Na-2H]- 147.04275 125.3
[M]+ 126.06753 126.1
[M]- 126.06863 126.1
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.