CID 1711945

(5e,9e)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one

Structural Information

Molecular Formula
C18H30O
SMILES
CC(=CCC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)C
InChI
InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
InChIKey
LTUMRKDLVGQMJU-IUBLYSDUSA-N
Compound name
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

20
References

2324
Patents

262.22968 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.236956 171.4
[M+Na]+ 285.218898 174.4
[M-H]- 261.222404 170.2
[M+NH4]+ 280.263503 188.2
[M+K]+ 301.192838 170.9
[M+H-H2O]+ 245.226940 165.7
[M+HCOO]- 307.227881 188.5
[M+CH3COO]- 321.243531 203.1
[M+Na-2H]- 283.204346 167.3
[M]+ 262.22913142 173.1
[M]- 262.23022858 173.1
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.