CID 155977911

5-(bromomethyl)-3-cyclopropyl-1h-1,2,4-triazole hydrobromide

Structural Information

Molecular Formula
C6H8BrN3
SMILES
C1CC1C2=NNC(=N2)CBr
InChI
InChI=1S/C6H8BrN3/c7-3-5-8-6(10-9-5)4-1-2-4/h4H,1-3H2,(H,8,9,10)
InChIKey
AEDJSQUUWSEDDW-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-cyclopropyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.99016 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 135.1
[M+Na]+ 223.97938 139.3
[M+NH4]+ 219.02398 140.0
[M+K]+ 239.95332 142.1
[M-H]- 199.98288 140.4
[M+Na-2H]- 221.96483 140.6
[M]+ 200.98961 136.9
[M]- 200.99071 136.9
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.