CID 113430

6-tridecanone, 3,9-diethyl-

Structural Information

Molecular Formula
C17H34O
SMILES
CCCCC(CC)CCC(=O)CCC(CC)CC
InChI
InChI=1S/C17H34O/c1-5-9-10-16(8-4)12-14-17(18)13-11-15(6-2)7-3/h15-16H,5-14H2,1-4H3
InChIKey
LJIUTOLEBSNPSS-UHFFFAOYSA-N
Compound name
3,9-diethyltridecan-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

254.26097 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.26825 172.1
[M+Na]+ 277.25019 174.5
[M-H]- 253.25369 170.7
[M+NH4]+ 272.29479 189.3
[M+K]+ 293.22413 172.6
[M+H-H2O]+ 237.25823 166.0
[M+HCOO]- 299.25917 189.8
[M+CH3COO]- 313.27482 204.0
[M+Na-2H]- 275.23564 169.5
[M]+ 254.26042 176.4
[M]- 254.26152 176.4
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

patents stripe