CID 3020405

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

Structural Information

Molecular Formula
C13H24O
SMILES
CC(CCCC(=C)C)CCCC(=O)C
InChI
InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h12H,1,5-10H2,2-4H3
InChIKey
CGOWGZULHZMBBC-UHFFFAOYSA-N
Compound name
6,10-dimethylundec-10-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.18271 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 151.6
[M+Na]+ 219.171928 155.9
[M-H]- 195.175434 151.0
[M+NH4]+ 214.216533 171.0
[M+K]+ 235.145868 154.5
[M+H-H2O]+ 179.179970 146.4
[M+HCOO]- 241.180911 170.8
[M+CH3COO]- 255.196561 191.1
[M+Na-2H]- 217.157376 151.3
[M]+ 196.18216142 153.7
[M]- 196.18325858 153.7
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

patents stripe