CID 141255

25948-13-4

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.10297	143.3
[M+Na]+	234.08491	155.2
[M+NH4]+	229.12951	150.4
[M+K]+	250.05885	152.0
[M-H]-	210.08841	146.0
[M+Na-2H]-	232.07036	149.4
[M]+	211.09514	145.4
[M]-	211.09624	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe