CID 436

Oxoamide

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CNC(=O)CCC(=O)C1=CN=CC=C1
InChI
InChI=1S/C10H12N2O2/c1-11-10(14)5-4-9(13)8-3-2-6-12-7-8/h2-3,6-7H,4-5H2,1H3,(H,11,14)
InChIKey
WOOSCPWOYYLIHS-UHFFFAOYSA-N
Compound name
N-methyl-4-oxo-4-pyridin-3-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

156
Patents

192.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 141.7
[M+Na]+ 215.079088 147.9
[M-H]- 191.082594 143.8
[M+NH4]+ 210.123693 159.3
[M+K]+ 231.053028 146.4
[M+H-H2O]+ 175.087130 134.5
[M+HCOO]- 237.088071 164.6
[M+CH3COO]- 251.103721 185.1
[M+Na-2H]- 213.064536 147.4
[M]+ 192.08932142 141.9
[M]- 192.09041858 141.9
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

patents stripe