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]+ 225.08699 147.3
[M+Na]+ 247.06893 153.3
[M-H]- 223.07243 149.3
[M+NH4]+ 242.11353 163.4
[M+K]+ 263.04287 152.9
[M+H-H2O]+ 207.07697 139.6
[M+HCOO]- 269.07791 170.6
[M+CH3COO]- 283.09356 188.7
[M+Na-2H]- 245.05438 153.0
[M]+ 224.07916 150.2
[M]- 224.08026 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.