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

5
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 139.8
[M+Na]+ 219.07402 153.0
[M+NH4]+ 214.11862 147.4
[M+K]+ 235.04796 149.4
[M-H]- 195.07752 142.3
[M+Na-2H]- 217.05947 146.2
[M]+ 196.08425 142.2
[M]- 196.08535 142.2
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