CID 295864

2-ethoxy-5-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

168.0535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 131.2
[M+Na]+ 191.042718 139.2
[M-H]- 167.046224 134.0
[M+NH4]+ 186.087323 149.7
[M+K]+ 207.016658 134.4
[M+H-H2O]+ 151.050760 129.3
[M+HCOO]- 213.051701 156.6
[M+CH3COO]- 227.067351 172.4
[M+Na-2H]- 189.028166 140.9
[M]+ 168.05295142 131.5
[M]- 168.05404858 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

No literature data available for this compound.

Patent stripe

patents stripe