CID 135533208

Sr 4286

Structural Information

Molecular Formula

C₈H₈N₄O₃

SMILES

COC1=CC2=C(C=C1)[N+](=NC(=[N+]2[O-])N)[O-]

InChI

InChI=1S/C8H8N4O3/c1-15-5-2-3-6-7(4-5)11(13)8(9)10-12(6)14/h2-4H,1H3,(H2,9,10)

InChIKey

DWXUPPMNVGGYRX-UHFFFAOYSA-N

Compound name

6-methoxy-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 208.05965 Da
Monoisotopic Mass: 0.0
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]+	209.06693	143.7
[M+Na]+	231.04887	160.2
[M+NH4]+	226.09347	151.2
[M+K]+	247.02281	158.6
[M-H]-	207.05237	146.8
[M+Na-2H]-	229.03432	149.1
[M]+	208.05910	146.8
[M]-	208.06020	146.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.