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-methyl-3-pyridinyl)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]+ 248.200896 162.3
[M+Na]+ 270.182838 167.7
[M-H]- 246.186344 163.5
[M+NH4]+ 265.227443 178.5
[M+K]+ 286.156778 164.3
[M+H-H2O]+ 230.190880 154.6
[M+HCOO]- 292.191821 182.7
[M+CH3COO]- 306.207471 198.2
[M+Na-2H]- 268.168286 164.9
[M]+ 247.19307142 165.8
[M]- 247.19416858 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.