CID 356305

4-ethoxy-3-nitropyridine

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CCOC1=C(C=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O3/c1-2-12-7-3-4-8-5-6(7)9(10)11/h3-5H,2H2,1H3
InChIKey
ABOSMHRLVUWEMT-UHFFFAOYSA-N
Compound name
4-ethoxy-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

168.0535 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 131.2
[M+Na]+ 191.04272 139.2
[M-H]- 167.04622 134.0
[M+NH4]+ 186.08732 149.7
[M+K]+ 207.01666 134.4
[M+H-H2O]+ 151.05076 129.3
[M+HCOO]- 213.05170 156.6
[M+CH3COO]- 227.06735 172.4
[M+Na-2H]- 189.02817 140.9
[M]+ 168.05295 131.5
[M]- 168.05405 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe