CID 494376

Nsc617853

Structural Information

Molecular Formula
C9H10N4O
SMILES
CC1=CC2=C(C=C1C)[N+](=NC(=N2)N)[O-]
InChI
InChI=1S/C9H10N4O/c1-5-3-7-8(4-6(5)2)13(14)12-9(10)11-7/h3-4H,1-2H3,(H2,10,11,12)
InChIKey
YAPMVAUXOLBROP-UHFFFAOYSA-N
Compound name
6,7-dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 139.9
[M+Na]+ 213.07468 150.8
[M-H]- 189.07818 139.9
[M+NH4]+ 208.11928 155.8
[M+K]+ 229.04862 142.1
[M+H-H2O]+ 173.08272 137.0
[M+HCOO]- 235.08366 160.0
[M+CH3COO]- 249.09931 177.7
[M+Na-2H]- 211.06013 149.7
[M]+ 190.08491 137.5
[M]- 190.08601 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.