CID 71347088

1-(5-methyl-3-pyridinyl)-1-decanone

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCCCCCCCC(=O)C1=CN=CC(=C1)C
InChI
InChI=1S/C16H25NO/c1-3-4-5-6-7-8-9-10-16(18)15-11-14(2)12-17-13-15/h11-13H,3-10H2,1-2H3
InChIKey
DDGAOBFOWITDPC-UHFFFAOYSA-N
Compound name
1-(5-methylpyridin-3-yl)decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 162.3
[M+Na]+ 270.18284 167.7
[M-H]- 246.18634 163.5
[M+NH4]+ 265.22744 178.5
[M+K]+ 286.15678 164.3
[M+H-H2O]+ 230.19088 154.6
[M+HCOO]- 292.19182 182.7
[M+CH3COO]- 306.20747 198.2
[M+Na-2H]- 268.16829 164.9
[M]+ 247.19307 165.8
[M]- 247.19417 165.8
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.