CID 527254

5,7,10-trimethylundec-9-ene-4,6-dione

Structural Information

Molecular Formula
C14H24O2
SMILES
CCCC(=O)C(C)C(=O)C(C)CC=C(C)C
InChI
InChI=1S/C14H24O2/c1-6-7-13(15)12(5)14(16)11(4)9-8-10(2)3/h8,11-12H,6-7,9H2,1-5H3
InChIKey
CFGSDQZJQUFHTO-UHFFFAOYSA-N
Compound name
5,7,10-trimethylundec-9-ene-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 157.0
[M+Na]+ 247.166848 161.0
[M-H]- 223.170354 156.5
[M+NH4]+ 242.211453 175.2
[M+K]+ 263.140788 160.1
[M+H-H2O]+ 207.174890 151.9
[M+HCOO]- 269.175831 174.5
[M+CH3COO]- 283.191481 196.2
[M+Na-2H]- 245.152296 153.9
[M]+ 224.17708142 159.0
[M]- 224.17817858 159.0
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.