CID 353738

Nsc602824

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CC(=O)NC1=C(C=CNC1=O)NC
InChI
InChI=1S/C8H11N3O2/c1-5(12)11-7-6(9-2)3-4-10-8(7)13/h3-4H,1-2H3,(H,11,12)(H2,9,10,13)
InChIKey
JVBNIOBANVAFFK-UHFFFAOYSA-N
Compound name
N-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 137.0
[M+Na]+ 204.07435 144.8
[M-H]- 180.07785 138.6
[M+NH4]+ 199.11895 154.6
[M+K]+ 220.04829 142.3
[M+H-H2O]+ 164.08239 130.3
[M+HCOO]- 226.08333 160.9
[M+CH3COO]- 240.09898 183.3
[M+Na-2H]- 202.05980 143.1
[M]+ 181.08458 135.1
[M]- 181.08568 135.1
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.