CID 114621

5,9-dodecadien-2-one, 6,10-dimethyl-

Structural Information

Molecular Formula
C14H24O
SMILES
CCC(=CCCC(=CCCC(=O)C)C)C
InChI
InChI=1S/C14H24O/c1-5-12(2)8-6-9-13(3)10-7-11-14(4)15/h8,10H,5-7,9,11H2,1-4H3
InChIKey
HSRQHSFPIKREMB-UHFFFAOYSA-N
Compound name
6,10-dimethyldodeca-5,9-dien-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

208.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 154.8
[M+Na]+ 231.17193 159.2
[M-H]- 207.17543 154.1
[M+NH4]+ 226.21653 173.8
[M+K]+ 247.14587 156.9
[M+H-H2O]+ 191.17997 149.6
[M+HCOO]- 253.18091 173.9
[M+CH3COO]- 267.19656 191.8
[M+Na-2H]- 229.15738 154.0
[M]+ 208.18216 156.4
[M]- 208.18326 156.4
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