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

4
Patents

187.96976 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.977036 125.9
[M+Na]+ 210.958978 139.6
[M-H]- 186.962484 128.7
[M+NH4]+ 206.003583 145.3
[M+K]+ 226.932918 128.6
[M+H-H2O]+ 170.967020 124.7
[M+HCOO]- 232.967961 146.3
[M+CH3COO]- 246.983611 181.5
[M+Na-2H]- 208.944426 136.0
[M]+ 187.96921142 143.3
[M]- 187.97030858 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

patents stripe