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 156.5
[M+Na]+ 233.18758 160.5
[M-H]- 209.19108 155.7
[M+NH4]+ 228.23218 175.5
[M+K]+ 249.16152 158.8
[M+H-H2O]+ 193.19562 151.1
[M+HCOO]- 255.19656 175.4
[M+CH3COO]- 269.21221 193.4
[M+Na-2H]- 231.17303 155.6
[M]+ 210.19781 158.9
[M]- 210.19891 158.9
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