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
5
Annotation Hits

20
References

1506
Patents

262.22968 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 171.4
[M+Na]+ 285.21890 174.4
[M-H]- 261.22240 170.2
[M+NH4]+ 280.26350 188.2
[M+K]+ 301.19284 170.9
[M+H-H2O]+ 245.22694 165.7
[M+HCOO]- 307.22788 188.5
[M+CH3COO]- 321.24353 203.1
[M+Na-2H]- 283.20435 167.3
[M]+ 262.22913 173.1
[M]- 262.23023 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

literature stripe

Patent stripe

patents stripe