CID 135949090

176260-30-3

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC1=CC2=C(C=C1)C(=O)NN=N2
InChI
InChI=1S/C8H7N3O/c1-5-2-3-6-7(4-5)9-11-10-8(6)12/h2-4H,1H3,(H,9,10,12)
InChIKey
MNKWOUMDVCJHQD-UHFFFAOYSA-N
Compound name
7-methyl-3H-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

161.05891 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 131.3
[M+Na]+ 184.04813 142.6
[M-H]- 160.05163 131.2
[M+NH4]+ 179.09273 148.8
[M+K]+ 200.02207 138.4
[M+H-H2O]+ 144.05617 123.8
[M+HCOO]- 206.05711 151.0
[M+CH3COO]- 220.07276 144.6
[M+Na-2H]- 182.03358 141.5
[M]+ 161.05836 130.9
[M]- 161.05946 130.9
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

patents stripe