CID 246773

2-butoxy-5-nitropyridine

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCCCOC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O3/c1-2-3-6-14-9-5-4-8(7-10-9)11(12)13/h4-5,7H,2-3,6H2,1H3
InChIKey
GEMGCBQSLUFODV-UHFFFAOYSA-N
Compound name
2-butoxy-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

196.0848 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.9
[M+Na]+ 219.07402 148.0
[M-H]- 195.07752 143.3
[M+NH4]+ 214.11862 158.3
[M+K]+ 235.04796 142.7
[M+H-H2O]+ 179.08206 138.5
[M+HCOO]- 241.08300 165.6
[M+CH3COO]- 255.09865 178.5
[M+Na-2H]- 217.05947 149.5
[M]+ 196.08425 141.9
[M]- 196.08535 141.9
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