CID 3086357

Dtxsid8072956

Structural Information

Molecular Formula
C15H24O
SMILES
CCC(=O)C(=CC=C(C)CCC=C(C)C)C
InChI
InChI=1S/C15H24O/c1-6-15(16)14(5)11-10-13(4)9-7-8-12(2)3/h8,10-11H,6-7,9H2,1-5H3
InChIKey
IOOAAQDGILGZAW-UHFFFAOYSA-N
Compound name
4,7,11-trimethyldodeca-4,6,10-trien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 158.9
[M+Na]+ 243.17193 167.1
[M+NH4]+ 238.21653 164.8
[M+K]+ 259.14587 161.4
[M-H]- 219.17543 156.9
[M+Na-2H]- 241.15738 159.4
[M]+ 220.18216 159.1
[M]- 220.18326 159.1
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.