CID 14191393

Curcumanolide a

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1CCC(C12CC(=C(C)C)C(=O)O2)C(=C)C
InChI
InChI=1S/C15H22O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h11,13H,3,6-8H2,1-2,4-5H3
InChIKey
KHOTZHZBHNDKOB-UHFFFAOYSA-N
Compound name
6-methyl-3-propan-2-ylidene-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.16199 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 156.4
[M+Na]+ 257.15121 163.1
[M-H]- 233.15471 162.6
[M+NH4]+ 252.19581 179.1
[M+K]+ 273.12515 161.0
[M+H-H2O]+ 217.15925 153.1
[M+HCOO]- 279.16019 174.1
[M+CH3COO]- 293.17584 192.7
[M+Na-2H]- 255.13666 153.8
[M]+ 234.16144 153.8
[M]- 234.16254 153.8
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.