CID 21766410

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

160.95886 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe