CID 85697559

5-decanoyl-2-nonylpyridine

Structural Information

Molecular Formula
C24H41NO
SMILES
CCCCCCCCCC1=NC=C(C=C1)C(=O)CCCCCCCCC
InChI
InChI=1S/C24H41NO/c1-3-5-7-9-11-13-15-17-23-20-19-22(21-25-23)24(26)18-16-14-12-10-8-6-4-2/h19-21H,3-18H2,1-2H3
InChIKey
XPASABMPOWTXIB-UHFFFAOYSA-N
Compound name
1-(6-nonylpyridin-3-yl)decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.31882 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.32610 198.5
[M+Na]+ 382.30804 200.4
[M-H]- 358.31154 198.1
[M+NH4]+ 377.35264 210.0
[M+K]+ 398.28198 195.0
[M+H-H2O]+ 342.31608 189.1
[M+HCOO]- 404.31702 216.1
[M+CH3COO]- 418.33267 222.0
[M+Na-2H]- 380.29349 196.7
[M]+ 359.31827 204.9
[M]- 359.31937 204.9
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

No patent data available for this compound.