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

26
Patents

181.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 135.4
[M+Na]+ 204.06312 144.6
[M-H]- 180.06662 137.0
[M+NH4]+ 199.10772 153.8
[M+K]+ 220.03706 142.6
[M+H-H2O]+ 164.07116 129.4
[M+HCOO]- 226.07210 157.3
[M+CH3COO]- 240.08775 178.2
[M+Na-2H]- 202.04857 140.6
[M]+ 181.07335 137.0
[M]- 181.07445 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