CID 3085882

Dtxsid4072653

Structural Information

Molecular Formula
C16H24O
SMILES
CC(=CCC=C(C)CC=CC(=O)CCC=C)C
InChI
InChI=1S/C16H24O/c1-5-6-12-16(17)13-8-11-15(4)10-7-9-14(2)3/h5,8-10,13H,1,6-7,11-12H2,2-4H3
InChIKey
CDQMGJIMWCZPBY-UHFFFAOYSA-N
Compound name
9,13-dimethyltetradeca-1,6,9,12-tetraen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 162.5
[M+Na]+ 255.17193 170.8
[M+NH4]+ 250.21653 168.0
[M+K]+ 271.14587 164.0
[M-H]- 231.17543 160.4
[M+Na-2H]- 253.15738 162.9
[M]+ 232.18216 162.6
[M]- 232.18326 162.6
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.