CID 13624271

5-bromo-1-isopropyl-1h-1,2,4-triazole

Structural Information

Molecular Formula
C5H8BrN3
SMILES
CC(C)N1C(=NC=N1)Br
InChI
InChI=1S/C5H8BrN3/c1-4(2)9-5(6)7-3-8-9/h3-4H,1-2H3
InChIKey
HEYZCRUOGYRTFE-UHFFFAOYSA-N
Compound name
5-bromo-1-propan-2-yl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.99016 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.99744 136.3
[M+Na]+ 211.97938 138.9
[M+NH4]+ 207.02398 140.4
[M+K]+ 227.95332 141.1
[M-H]- 187.98288 134.8
[M+Na-2H]- 209.96483 138.6
[M]+ 188.98961 134.9
[M]- 188.99071 134.9
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.