CID 16228071

Ethyl 2-ethyl-5-nitropyridine-3-carboxylate

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CCC1=C(C=C(C=N1)[N+](=O)[O-])C(=O)OCC
InChI
InChI=1S/C10H12N2O4/c1-3-9-8(10(13)16-4-2)5-7(6-11-9)12(14)15/h5-6H,3-4H2,1-2H3
InChIKey
FWGSDHOSZRZYHD-UHFFFAOYSA-N
Compound name
ethyl 2-ethyl-5-nitropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07971 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 146.8
[M+Na]+ 247.06893 154.3
[M-H]- 223.07243 149.5
[M+NH4]+ 242.11353 163.1
[M+K]+ 263.04287 149.2
[M+H-H2O]+ 207.07697 144.5
[M+HCOO]- 269.07791 170.6
[M+CH3COO]- 283.09356 183.7
[M+Na-2H]- 245.05438 153.2
[M]+ 224.07916 148.5
[M]- 224.08026 148.5
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.