CID 85697557

3,5-didecanoylpyridine

Structural Information

Molecular Formula
C25H41NO2
SMILES
CCCCCCCCCC(=O)C1=CC(=CN=C1)C(=O)CCCCCCCCC
InChI
InChI=1S/C25H41NO2/c1-3-5-7-9-11-13-15-17-24(27)22-19-23(21-26-20-22)25(28)18-16-14-12-10-8-6-4-2/h19-21H,3-18H2,1-2H3
InChIKey
TWSXMOSHPGZBJE-UHFFFAOYSA-N
Compound name
1-(5-decanoylpyridin-3-yl)decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

387.31372 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.32100 204.2
[M+Na]+ 410.30294 213.4
[M+NH4]+ 405.34754 208.9
[M+K]+ 426.27688 204.5
[M-H]- 386.30644 204.2
[M+Na-2H]- 408.28839 206.2
[M]+ 387.31317 205.2
[M]- 387.31427 205.2
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

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