CID 6409674

Hatu

Structural Information

Molecular Formula

C₁₀H₁₅N₆O

SMILES

CN(C)C(=[N+](C)C)N1C2=C(N=CC=C2)[N+](=N1)[O-]

InChI

InChI=1S/C10H15N6O/c1-13(2)10(14(3)4)15-8-6-5-7-11-9(8)16(17)12-15/h5-7H,1-4H3/q+1

InChIKey

PDKXJKWLFFZPPF-UHFFFAOYSA-N

Compound name

[dimethylamino-(3-oxidotriazolo[4,5-b]pyridin-3-ium-1-yl)methylidene]-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2803
Patents: 235.13074 Da
Monoisotopic Mass: 0.6
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]+	236.13802	147.7
[M+Na]+	258.11996	162.5
[M+NH4]+	253.16456	155.4
[M+K]+	274.09390	162.6
[M-H]-	234.12346	151.2
[M+Na-2H]-	256.10541	154.3
[M]+	235.13019	150.8
[M]-	235.13129	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe