CID 103029

6,10,14-trimethylpentadeca-4,5-dien-2-one

Structural Information

Molecular Formula
C18H32O
SMILES
CC(C)CCCC(C)CCCC(=C=CCC(=O)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/h8,15-16H,6-7,9-12,14H2,1-5H3
InChIKey
KOEOXTZSYDFLAC-UHFFFAOYSA-N
Compound name
6,10,14-trimethylpentadeca-4,5-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

264.24533 Da
Monoisotopic Mass

5.9
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

literature stripe

Patent stripe

patents stripe