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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.101576	133.7
[M+Na]+	205.083518	143.7
[M-H]-	181.087024	138.0
[M+NH4]+	200.128123	160.4
[M+K]+	221.057458	142.9
[M+H-H2O]+	165.091560	131.2
[M+HCOO]-	227.092501	152.6
[M+CH3COO]-	241.108151	181.6
[M+Na-2H]-	203.068966	141.1
[M]+	182.09375142	135.2
[M]-	182.09484858	135.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.