CID 487222

[(2-ethoxy-2-oxo-ethyl)amino] pyridine-3-carboxylate

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CCOC(=O)CNOC(=O)C1=CN=CC=C1
InChI
InChI=1S/C10H12N2O4/c1-2-15-9(13)7-12-16-10(14)8-4-3-5-11-6-8/h3-6,12H,2,7H2,1H3
InChIKey
QWMJYSCQHFVCAT-UHFFFAOYSA-N
Compound name
[(2-ethoxy-2-oxoethyl)amino] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07971 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 147.3
[M+Na]+ 247.068928 153.3
[M-H]- 223.072434 149.3
[M+NH4]+ 242.113533 163.4
[M+K]+ 263.042868 152.9
[M+H-H2O]+ 207.076970 139.6
[M+HCOO]- 269.077911 170.6
[M+CH3COO]- 283.093561 188.7
[M+Na-2H]- 245.054376 153.0
[M]+ 224.07916142 150.2
[M]- 224.08025858 150.2
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.