CID 165937594

5-bromo-2-methyl-2h-1,2,3-triazol-4-amine

Structural Information

Molecular Formula
C3H5BrN4
SMILES
CN1N=C(C(=N1)Br)N
InChI
InChI=1S/C3H5BrN4/c1-8-6-2(4)3(5)7-8/h1H3,(H2,5,7)
InChIKey
QXAPDGPALJSVLK-UHFFFAOYSA-N
Compound name
5-bromo-2-methyltriazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.96976 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.97704 124.3
[M+Na]+ 198.95898 138.5
[M-H]- 174.96248 127.4
[M+NH4]+ 194.00358 145.9
[M+K]+ 214.93292 128.2
[M+H-H2O]+ 158.96702 123.1
[M+HCOO]- 220.96796 145.8
[M+CH3COO]- 234.98361 178.8
[M+Na-2H]- 196.94443 132.4
[M]+ 175.96921 141.9
[M]- 175.97031 141.9
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.