CID 494409

6-methyl-1,2,4-benzotriazin-3-amine 1-oxide

Structural Information

Molecular Formula
C8H8N4O
SMILES
CC1=CC2=C(C=C1)[N+](=NC(=N2)N)[O-]
InChI
InChI=1S/C8H8N4O/c1-5-2-3-7-6(4-5)10-8(9)11-12(7)13/h2-4H,1H3,(H2,9,10,11)
InChIKey
JKOWNWUHWNPUGO-UHFFFAOYSA-N
Compound name
6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

176.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 134.6
[M+Na]+ 199.05903 145.0
[M-H]- 175.06253 134.4
[M+NH4]+ 194.10363 150.8
[M+K]+ 215.03297 136.5
[M+H-H2O]+ 159.06707 131.6
[M+HCOO]- 221.06801 155.1
[M+CH3COO]- 235.08366 173.5
[M+Na-2H]- 197.04448 145.7
[M]+ 176.06926 131.5
[M]- 176.07036 131.5
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

patents stripe