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

504
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 151.9
[M+Na]+ 259.16685 158.3
[M-H]- 235.17035 152.9
[M+NH4]+ 254.21145 167.9
[M+K]+ 275.14079 156.9
[M+H-H2O]+ 219.17489 149.8
[M+HCOO]- 281.17583 169.8
[M+CH3COO]- 295.19148 192.2
[M+Na-2H]- 257.15230 150.3
[M]+ 236.17708 147.8
[M]- 236.17818 147.8
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.