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
1
Annotation Hits

0
References

115
Patents

264.24533 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.25261 173.2
[M+Na]+ 287.23455 175.8
[M-H]- 263.23805 171.9
[M+NH4]+ 282.27915 189.9
[M+K]+ 303.20849 172.9
[M+H-H2O]+ 247.24259 167.4
[M+HCOO]- 309.24353 190.0
[M+CH3COO]- 323.25918 204.7
[M+Na-2H]- 285.22000 169.0
[M]+ 264.24478 175.7
[M]- 264.24588 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