CID 162502713

6-bromo-5-methyl-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C4H5BrN4
SMILES
CC1=C(N=NC(=N1)N)Br
InChI
InChI=1S/C4H5BrN4/c1-2-3(5)8-9-4(6)7-2/h1H3,(H2,6,7,9)
InChIKey
PKGMSTMKQAAXJX-UHFFFAOYSA-N
Compound name
6-bromo-5-methyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.96976 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.97704 125.9
[M+Na]+ 210.95898 139.6
[M-H]- 186.96248 128.7
[M+NH4]+ 206.00358 145.3
[M+K]+ 226.93292 128.6
[M+H-H2O]+ 170.96702 124.7
[M+HCOO]- 232.96796 146.3
[M+CH3COO]- 246.98361 181.5
[M+Na-2H]- 208.94443 136.0
[M]+ 187.96921 143.3
[M]- 187.97031 143.3
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.