CID 102604

6,10-dimethylundec-9-en-2-one

Structural Information

Molecular Formula
C13H24O
SMILES
CC(CCCC(=O)C)CCC=C(C)C
InChI
InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,12H,5-6,8-10H2,1-4H3
InChIKey
LGVYUZVANMHKHV-UHFFFAOYSA-N
Compound name
6,10-dimethylundec-9-en-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

577
Patents

196.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 151.5
[M+Na]+ 219.17193 160.3
[M+NH4]+ 214.21653 158.3
[M+K]+ 235.14587 154.5
[M-H]- 195.17543 150.3
[M+Na-2H]- 217.15738 153.1
[M]+ 196.18216 152.2
[M]- 196.18326 152.2
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