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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.