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]+ 212.10297 143.5
[M+Na]+ 234.08491 149.6
[M-H]- 210.08841 145.7
[M+NH4]+ 229.12951 159.8
[M+K]+ 250.05885 144.2
[M+H-H2O]+ 194.09295 140.6
[M+HCOO]- 256.09389 169.2
[M+CH3COO]- 270.10954 183.2
[M+Na-2H]- 232.07036 152.6
[M]+ 211.09514 143.7
[M]- 211.09624 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