CID 11788648

595-31-3

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C[C@]12CC[C@H](C1(C)C)C(=O)OC2=O

InChI

InChI=1S/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m0/s1

InChIKey

VFZDNKRDYPTSTP-QUBYGPBYSA-N

Compound name

(1S,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 829
Patents: 182.0943 Da
Monoisotopic Mass: 1.8
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]+	183.10158	137.6
[M+Na]+	205.08352	147.9
[M+NH4]+	200.12812	149.1
[M+K]+	221.05746	141.0
[M-H]-	181.08702	139.0
[M+Na-2H]-	203.06897	141.5
[M]+	182.09375	139.6
[M]-	182.09485	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe