CID 1711945

1117-52-8

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
4
Annotation Hits

20
References

1274
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 171.9
[M+Na]+ 285.21890 179.5
[M+NH4]+ 280.26350 177.2
[M+K]+ 301.19284 173.1
[M-H]- 261.22240 169.8
[M+Na-2H]- 283.20435 171.6
[M]+ 262.22913 172.0
[M]- 262.23023 172.0
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