CID 140121

16681-72-4

Structural Information

Molecular Formula
C3H4BrN3
SMILES
CN1C(=NC=N1)Br
InChI
InChI=1S/C3H4BrN3/c1-7-3(4)5-2-6-7/h2H,1H3
InChIKey
ZYLIOXAULQKGII-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

160.95886 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.96614 128.7
[M+Na]+ 183.94808 131.9
[M+NH4]+ 178.99268 133.2
[M+K]+ 199.92202 133.9
[M-H]- 159.95158 127.4
[M+Na-2H]- 181.93353 131.8
[M]+ 160.95831 127.5
[M]- 160.95941 127.5
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