CID 141304

3-bromo-5-methyl-1h-1,2,4-triazole

Structural Information

Molecular Formula
C3H4BrN3
SMILES
CC1=NC(=NN1)Br
InChI
InChI=1S/C3H4BrN3/c1-2-5-3(4)7-6-2/h1H3,(H,5,6,7)
InChIKey
BMTIGKUJWSEHHI-UHFFFAOYSA-N
Compound name
3-bromo-5-methyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

160.95886 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.96614 129.7
[M+Na]+ 183.94808 132.4
[M+NH4]+ 178.99268 133.8
[M+K]+ 199.92202 134.6
[M-H]- 159.95158 127.9
[M+Na-2H]- 181.93353 132.2
[M]+ 160.95831 128.2
[M]- 160.95941 128.2
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