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 140.7
[M+Na]+ 223.97938 155.3
[M-H]- 199.98288 146.0
[M+NH4]+ 219.02398 156.5
[M+K]+ 239.95332 142.8
[M+H-H2O]+ 183.98742 139.2
[M+HCOO]- 245.98836 160.1
[M+CH3COO]- 260.00401 155.1
[M+Na-2H]- 221.96483 147.7
[M]+ 200.98961 159.1
[M]- 200.99071 159.1
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

No patent data available for this compound.