CID 157009950

(+)-8-acetoxycarvone

Structural Information

Molecular Formula
C12H16O3
SMILES
CC1=CC[C@@](CC1=O)(C(=C)C)OC(=O)C
InChI
InChI=1S/C12H16O3/c1-8(2)12(15-10(4)13)6-5-9(3)11(14)7-12/h5H,1,6-7H2,2-4H3/t12-/m1/s1
InChIKey
GEACSAQGZQDKCB-GFCCVEGCSA-N
Compound name
[(1R)-4-methyl-5-oxo-1-prop-1-en-2-ylcyclohex-3-en-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 143.3
[M+Na]+ 231.099158 150.6
[M-H]- 207.102664 147.0
[M+NH4]+ 226.143763 164.4
[M+K]+ 247.073098 149.5
[M+H-H2O]+ 191.107200 138.9
[M+HCOO]- 253.108141 163.3
[M+CH3COO]- 267.123791 187.5
[M+Na-2H]- 229.084606 145.7
[M]+ 208.10939142 143.5
[M]- 208.11048858 143.5
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.