CID 95965

3-methylbenzo[1,2,4]triazine

Structural Information

Molecular Formula
C8H7N3
SMILES
CC1=NC2=CC=CC=C2N=N1
InChI
InChI=1S/C8H7N3/c1-6-9-7-4-2-3-5-8(7)11-10-6/h2-5H,1H3
InChIKey
JUYHCYCLQJYTJE-UHFFFAOYSA-N
Compound name
3-methyl-1,2,4-benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

167
Patents

145.064 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07128 127.8
[M+Na]+ 168.05322 138.3
[M-H]- 144.05672 128.6
[M+NH4]+ 163.09782 146.4
[M+K]+ 184.02716 135.1
[M+H-H2O]+ 128.06126 119.8
[M+HCOO]- 190.06220 148.6
[M+CH3COO]- 204.07785 141.5
[M+Na-2H]- 166.03867 139.3
[M]+ 145.06345 128.0
[M]- 145.06455 128.0
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