CID 225699

Undecen-2-one, 6,10-dimethyl-

Structural Information

Molecular Formula
C13H24O
SMILES
CC(C)CCCC(C)CC=CC(=O)C
InChI
InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6,10-12H,5,7-9H2,1-4H3
InChIKey
HOXDFZBDPOCFGM-UHFFFAOYSA-N
Compound name
6,10-dimethylundec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

235
Patents

196.18271 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 151.8
[M+Na]+ 219.17193 156.2
[M-H]- 195.17543 151.2
[M+NH4]+ 214.21653 171.3
[M+K]+ 235.14587 154.8
[M+H-H2O]+ 179.17997 146.6
[M+HCOO]- 241.18091 171.0
[M+CH3COO]- 255.19656 190.4
[M+Na-2H]- 217.15738 151.5
[M]+ 196.18216 153.8
[M]- 196.18326 153.8
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