CID 89267

3,9-undecadien-2-one, 3,6,10-trimethyl-

Structural Information

Molecular Formula
C14H24O
SMILES
CC(CCC=C(C)C)CC=C(C)C(=O)C
InChI
InChI=1S/C14H24O/c1-11(2)7-6-8-12(3)9-10-13(4)14(5)15/h7,10,12H,6,8-9H2,1-5H3
InChIKey
FJHNHGPWIXCZGA-UHFFFAOYSA-N
Compound name
3,6,10-trimethylundeca-3,9-dien-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

208.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.189986 154.4
[M+Na]+ 231.171928 158.7
[M-H]- 207.175434 153.9
[M+NH4]+ 226.216533 173.5
[M+K]+ 247.145868 156.9
[M+H-H2O]+ 191.179970 149.4
[M+HCOO]- 253.180911 172.6
[M+CH3COO]- 267.196561 192.7
[M+Na-2H]- 229.157376 152.5
[M]+ 208.18216142 155.4
[M]- 208.18325858 155.4
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

No patent data available for this compound.