CID 12089326

150190-03-7

Structural Information

Molecular Formula
C9H11NO3
SMILES
CCOC(=O)C1=CC(=O)NC(=C1)C
InChI
InChI=1S/C9H11NO3/c1-3-13-9(12)7-4-6(2)10-8(11)5-7/h4-5H,3H2,1-2H3,(H,10,11)
InChIKey
WZUAZSMUJJUHMM-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

181.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 135.4
[M+Na]+ 204.063118 144.6
[M-H]- 180.066624 137.0
[M+NH4]+ 199.107723 153.8
[M+K]+ 220.037058 142.6
[M+H-H2O]+ 164.071160 129.4
[M+HCOO]- 226.072101 157.3
[M+CH3COO]- 240.087751 178.2
[M+Na-2H]- 202.048566 140.6
[M]+ 181.07335142 137.0
[M]- 181.07444858 137.0
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

patents stripe