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]+ 189.997436 130.5
[M+Na]+ 211.979378 142.6
[M-H]- 187.982884 131.7
[M+NH4]+ 207.023983 151.1
[M+K]+ 227.953318 132.0
[M+H-H2O]+ 171.987420 129.5
[M+HCOO]- 233.988361 149.6
[M+CH3COO]- 248.004011 176.1
[M+Na-2H]- 209.964826 139.1
[M]+ 188.98961142 148.1
[M]- 188.99070858 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