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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06693 143.4
[M+Na]+ 231.04887 153.0
[M-H]- 207.05237 142.4
[M+NH4]+ 226.09347 156.9
[M+K]+ 247.02281 140.3
[M+H-H2O]+ 191.05691 144.9
[M+HCOO]- 253.05785 162.6
[M+CH3COO]- 267.07350 170.9
[M+Na-2H]- 229.03432 155.4
[M]+ 208.05910 139.4
[M]- 208.06020 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.