CID 110065

5,9-pentadecadien-2-one, 6,10,14-trimethyl-

Structural Information

Molecular Formula
C18H32O
SMILES
CC(C)CCCC(=CCCC(=CCCC(=O)C)C)C
InChI
InChI=1S/C18H32O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h11,13,15H,6-10,12,14H2,1-5H3
InChIKey
MCLZEUMAJZAYEK-UHFFFAOYSA-N
Compound name
6,10,14-trimethylpentadeca-5,9-dien-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

118
Patents

264.24533 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.252606 173.2
[M+Na]+ 287.234548 175.8
[M-H]- 263.238054 171.9
[M+NH4]+ 282.279153 189.9
[M+K]+ 303.208488 172.9
[M+H-H2O]+ 247.242590 167.4
[M+HCOO]- 309.243531 190.0
[M+CH3COO]- 323.259181 204.7
[M+Na-2H]- 285.219996 169.0
[M]+ 264.24478142 175.7
[M]- 264.24587858 175.7
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

patents stripe