CID 459529

N-(4-methylpyridin-2-yl)-3-oxobutanamide

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CC1=CC(=NC=C1)NC(=O)CC(=O)C
InChI
InChI=1S/C10H12N2O2/c1-7-3-4-11-9(5-7)12-10(14)6-8(2)13/h3-5H,6H2,1-2H3,(H,11,12,14)
InChIKey
LYKNMRJOZGSSPV-UHFFFAOYSA-N
Compound name
N-(4-methylpyridin-2-yl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

192.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 142.0
[M+Na]+ 215.07909 153.1
[M+NH4]+ 210.12369 148.8
[M+K]+ 231.05303 148.2
[M-H]- 191.08259 142.9
[M+Na-2H]- 213.06454 147.7
[M]+ 192.08932 143.6
[M]- 192.09042 143.6
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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