CID 21145039

(-)-5-oxo-1,2-campholide

Structural Information

Molecular Formula
C10H14O3
SMILES
C[C@@]12CC(=O)[C@@H](C1(C)C)CC(=O)O2
InChI
InChI=1S/C10H14O3/c1-9(2)6-4-8(12)13-10(9,3)5-7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
InChIKey
UDJVKSCOEHSXBZ-QUBYGPBYSA-N
Compound name
(1R,5R)-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octane-3,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 133.7
[M+Na]+ 205.08352 143.7
[M-H]- 181.08702 138.0
[M+NH4]+ 200.12812 160.4
[M+K]+ 221.05746 142.9
[M+H-H2O]+ 165.09156 131.2
[M+HCOO]- 227.09250 152.6
[M+CH3COO]- 241.10815 181.6
[M+Na-2H]- 203.06897 141.1
[M]+ 182.09375 135.2
[M]- 182.09485 135.2
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

No patent data available for this compound.