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

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe