CID 3085882

1,6,9,12-tetradecatetraen-5-one, 9,13-dimethyl-

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 160.4
[M+Na]+ 255.17193 164.7
[M-H]- 231.17543 159.5
[M+NH4]+ 250.21653 178.5
[M+K]+ 271.14587 160.7
[M+H-H2O]+ 215.17997 155.1
[M+HCOO]- 277.18091 179.3
[M+CH3COO]- 291.19656 195.4
[M+Na-2H]- 253.15738 158.7
[M]+ 232.18216 161.4
[M]- 232.18326 161.4
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.