CID 6436880

6,10-dimethyl-2-undec-5-enone

Structural Information

Molecular Formula
C13H24O
SMILES
CC(C)CCC/C(=C/CCC(=O)C)/C
InChI
InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h9,11H,5-8,10H2,1-4H3/b12-9+
InChIKey
COFFUYZBRGBAQS-FMIVXFBMSA-N
Compound name
(E)-6,10-dimethylundec-5-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

196.18271 Da
Monoisotopic Mass

4.2
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

No literature data available for this compound.

Patent stripe

patents stripe