CID 95561

5-ethylnonan-2-one

Structural Information

Molecular Formula
C11H22O
SMILES
CCCCC(CC)CCC(=O)C
InChI
InChI=1S/C11H22O/c1-4-6-7-11(5-2)9-8-10(3)12/h11H,4-9H2,1-3H3
InChIKey
BUGODZVINXTXEH-UHFFFAOYSA-N
Compound name
5-ethylnonan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

170.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 143.1
[M+Na]+ 193.15629 152.6
[M+NH4]+ 188.20089 150.7
[M+K]+ 209.13023 146.5
[M-H]- 169.15979 142.5
[M+Na-2H]- 191.14174 145.7
[M]+ 170.16652 144.1
[M]- 170.16762 144.1
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