CID 459530

N-(5-methyl-2-pyridinyl)-3-oxobutanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 141.3
[M+Na]+ 215.07909 148.4
[M-H]- 191.08259 143.7
[M+NH4]+ 210.12369 159.2
[M+K]+ 231.05303 146.9
[M+H-H2O]+ 175.08713 134.4
[M+HCOO]- 237.08807 164.2
[M+CH3COO]- 251.10372 186.3
[M+Na-2H]- 213.06454 146.2
[M]+ 192.08932 141.8
[M]- 192.09042 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.