CID 154291314

3-(3-bromopropyl)-1h-1,2,4-triazole hydrobromide

Structural Information

Molecular Formula
C5H8BrN3
SMILES
C1=NNC(=N1)CCCBr
InChI
InChI=1S/C5H8BrN3/c6-3-1-2-5-7-4-8-9-5/h4H,1-3H2,(H,7,8,9)
InChIKey
FBEFCJCFPLMOCC-UHFFFAOYSA-N
Compound name
5-(3-bromopropyl)-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.99016 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.99744 130.5
[M+Na]+ 211.97938 142.6
[M-H]- 187.98288 131.7
[M+NH4]+ 207.02398 151.1
[M+K]+ 227.95332 132.0
[M+H-H2O]+ 171.98742 129.5
[M+HCOO]- 233.98836 149.6
[M+CH3COO]- 248.00401 176.1
[M+Na-2H]- 209.96483 139.1
[M]+ 188.98961 148.1
[M]- 188.99071 148.1
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