CID 5362828

Curdione

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1CC/C=C(\CC(=O)C(CC1=O)C(C)C)/C
InChI
InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6-
InChIKey
KDPFMRXIVDLQKX-WDZFZDKYSA-N
Compound name
(6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

42
References

249
Patents

236.17763 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 154.8
[M+Na]+ 259.16685 165.6
[M+NH4]+ 254.21145 161.5
[M+K]+ 275.14079 159.4
[M-H]- 235.17035 156.5
[M+Na-2H]- 257.15230 158.4
[M]+ 236.17708 156.4
[M]- 236.17818 156.4
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.