CID 11665584

5-ethyl-2e-undecen-4-one

Structural Information

Molecular Formula
C13H24O
SMILES
CCCCCCC(CC)C(=O)/C=C/C
InChI
InChI=1S/C13H24O/c1-4-7-8-9-11-12(6-3)13(14)10-5-2/h5,10,12H,4,6-9,11H2,1-3H3/b10-5+
InChIKey
OGFAPWMNVLDLSD-BJMVGYQFSA-N
Compound name
(E)-5-ethylundec-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 151.8
[M+Na]+ 219.17193 156.4
[M-H]- 195.17543 151.1
[M+NH4]+ 214.21653 171.4
[M+K]+ 235.14587 154.5
[M+H-H2O]+ 179.17997 146.5
[M+HCOO]- 241.18091 172.0
[M+CH3COO]- 255.19656 189.6
[M+Na-2H]- 217.15738 152.7
[M]+ 196.18216 154.4
[M]- 196.18326 154.4
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

No patent data available for this compound.