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
1
Annotation Hits

0
References

39
Patents

168.0535 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe