CID 318595

3-amino-7-methyl-1,2,4-benzotriazine

Structural Information

Molecular Formula
C8H8N4
SMILES
CC1=CC2=C(C=C1)N=C(N=N2)N
InChI
InChI=1S/C8H8N4/c1-5-2-3-6-7(4-5)11-12-8(9)10-6/h2-4H,1H3,(H2,9,10,12)
InChIKey
HZTIYQFBWQXWDO-UHFFFAOYSA-N
Compound name
7-methyl-1,2,4-benzotriazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

160.07489 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.082166 132.7
[M+Na]+ 183.064108 143.3
[M-H]- 159.067614 133.4
[M+NH4]+ 178.108713 150.5
[M+K]+ 199.038048 139.7
[M+H-H2O]+ 143.072150 124.7
[M+HCOO]- 205.073091 154.0
[M+CH3COO]- 219.088741 145.9
[M+Na-2H]- 181.049556 142.8
[M]+ 160.07434142 131.7
[M]- 160.07543858 131.7
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