CID 141255

2-(3-methoxypropylamino)-5-nitropyridine

Structural Information

Molecular Formula
C9H13N3O3
SMILES
COCCCNC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H13N3O3/c1-15-6-2-5-10-9-4-3-8(7-11-9)12(13)14/h3-4,7H,2,5-6H2,1H3,(H,10,11)
InChIKey
XRNKQYFNGGZNCN-UHFFFAOYSA-N
Compound name
N-(3-methoxypropyl)-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.09569 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 143.5
[M+Na]+ 234.084908 149.6
[M-H]- 210.088414 145.7
[M+NH4]+ 229.129513 159.8
[M+K]+ 250.058848 144.2
[M+H-H2O]+ 194.092950 140.6
[M+HCOO]- 256.093891 169.2
[M+CH3COO]- 270.109541 183.2
[M+Na-2H]- 232.070356 152.6
[M]+ 211.09514142 143.7
[M]- 211.09623858 143.7
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