CID 71371139

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

Structural Information

Molecular Formula
C5H8BrN3
SMILES
CCCN1C(=NC=N1)Br
InChI
InChI=1S/C5H8BrN3/c1-2-3-9-5(6)7-4-8-9/h4H,2-3H2,1H3
InChIKey
XWVHCGNAOYDRTE-UHFFFAOYSA-N
Compound name
5-bromo-1-propyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

188.99016 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.99744 137.7
[M+Na]+ 211.97938 140.5
[M+NH4]+ 207.02398 141.8
[M+K]+ 227.95332 142.0
[M-H]- 187.98288 136.3
[M+Na-2H]- 209.96483 140.2
[M]+ 188.98961 136.4
[M]- 188.99071 136.4
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