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
2
Annotation Hits

0
References

8
Patents

208.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 154.4
[M+Na]+ 231.17193 158.7
[M-H]- 207.17543 153.9
[M+NH4]+ 226.21653 173.5
[M+K]+ 247.14587 156.9
[M+H-H2O]+ 191.17997 149.4
[M+HCOO]- 253.18091 172.6
[M+CH3COO]- 267.19656 192.7
[M+Na-2H]- 229.15738 152.5
[M]+ 208.18216 155.4
[M]- 208.18326 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.