CID 10035571

147283-74-7

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCOC(=O)CN1C=CC=C(C1=O)N
InChI
InChI=1S/C9H12N2O3/c1-2-14-8(12)6-11-5-3-4-7(10)9(11)13/h3-5H,2,6,10H2,1H3
InChIKey
BQWBDOJVEUYSPH-UHFFFAOYSA-N
Compound name
ethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

196.0848 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.0
[M+Na]+ 219.07402 148.6
[M-H]- 195.07752 142.3
[M+NH4]+ 214.11862 157.8
[M+K]+ 235.04796 147.0
[M+H-H2O]+ 179.08206 133.1
[M+HCOO]- 241.08300 163.7
[M+CH3COO]- 255.09865 185.2
[M+Na-2H]- 217.05947 144.8
[M]+ 196.08425 141.6
[M]- 196.08535 141.6
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