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
3
Annotation Hits

16
References

151
Patents

192.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 141.7
[M+Na]+ 215.07909 147.9
[M-H]- 191.08259 143.8
[M+NH4]+ 210.12369 159.3
[M+K]+ 231.05303 146.4
[M+H-H2O]+ 175.08713 134.5
[M+HCOO]- 237.08807 164.6
[M+CH3COO]- 251.10372 185.1
[M+Na-2H]- 213.06454 147.4
[M]+ 192.08932 141.9
[M]- 192.09042 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