CID 42608153

Curmadione

Structural Information

Molecular Formula
C15H22O2
SMILES
CCC(=O)CC1=CCC(=C(C)C)C(=O)CC1C
InChI
InChI=1S/C15H22O2/c1-5-13(16)9-12-6-7-14(10(2)3)15(17)8-11(12)4/h6,11H,5,7-9H2,1-4H3
InChIKey
JXBMAOPQNNTXPM-UHFFFAOYSA-N
Compound name
6-methyl-5-(2-oxobutyl)-2-propan-2-ylidenecyclohept-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 147.0
[M+Na]+ 257.15121 151.2
[M-H]- 233.15471 151.4
[M+NH4]+ 252.19581 164.2
[M+K]+ 273.12515 153.6
[M+H-H2O]+ 217.15925 142.6
[M+HCOO]- 279.16019 165.3
[M+CH3COO]- 293.17584 197.0
[M+Na-2H]- 255.13666 146.3
[M]+ 234.16144 143.9
[M]- 234.16254 143.9
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.