CID 131704490

Nai-n3

Structural Information

Molecular Formula

C₁₀H₈N₆O

SMILES

C1=CC(=C(N=C1)CN=[N+]=[N-])C(=O)N2C=CN=C2

InChI

InChI=1S/C10H8N6O/c11-15-14-6-9-8(2-1-3-13-9)10(17)16-5-4-12-7-16/h1-5,7H,6H2

InChIKey

QPSQVTFTPHUCEH-UHFFFAOYSA-N

Compound name

[2-(azidomethyl)pyridin-3-yl]-imidazol-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 228.07596 Da
Monoisotopic Mass: 1.4
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]+	229.08324	145.5
[M+Na]+	251.06518	158.4
[M+NH4]+	246.10978	152.5
[M+K]+	267.03912	156.1
[M-H]-	227.06868	150.2
[M+Na-2H]-	249.05063	154.6
[M]+	228.07541	148.2
[M]-	228.07651	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe