CID 73557051

5-undecen-4-one, 7-ethyl-2-methyl-

Structural Information

Molecular Formula
C14H26O
SMILES
CCCCC(CC)C=CC(=O)CC(C)C
InChI
InChI=1S/C14H26O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h9-10,12-13H,5-8,11H2,1-4H3
InChIKey
QYAOIOBFYSRSLB-UHFFFAOYSA-N
Compound name
7-ethyl-2-methylundec-5-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

210.19836 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.20564 155.9
[M+Na]+ 233.18758 164.5
[M+NH4]+ 228.23218 162.6
[M+K]+ 249.16152 158.4
[M-H]- 209.19108 154.7
[M+Na-2H]- 231.17303 157.2
[M]+ 210.19781 156.5
[M]- 210.19891 156.5
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