CID 135533208

1,2,4-benzotriazin-3-amine, 6(or 7)-methoxy-, 1,4-dioxide

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.066926 143.4
[M+Na]+ 231.048868 153.0
[M-H]- 207.052374 142.4
[M+NH4]+ 226.093473 156.9
[M+K]+ 247.022808 140.3
[M+H-H2O]+ 191.056910 144.9
[M+HCOO]- 253.057851 162.6
[M+CH3COO]- 267.073501 170.9
[M+Na-2H]- 229.034316 155.4
[M]+ 208.05910142 139.4
[M]- 208.06019858 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.