CID 84035176

5-bromo-3-cyclopropyl-1-methyl-1h-1,2,4-triazole

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CN1C(=NC(=N1)C2CC2)Br
InChI
InChI=1S/C6H8BrN3/c1-10-6(7)8-5(9-10)4-2-3-4/h4H,2-3H2,1H3
InChIKey
ZWKVMZAFVIJSBK-UHFFFAOYSA-N
Compound name
5-bromo-3-cyclopropyl-1-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.99016 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 141.2
[M+Na]+ 223.97938 157.0
[M-H]- 199.98288 148.1
[M+NH4]+ 219.02398 157.9
[M+K]+ 239.95332 145.3
[M+H-H2O]+ 183.98742 139.6
[M+HCOO]- 245.98836 161.9
[M+CH3COO]- 260.00401 156.4
[M+Na-2H]- 221.96483 147.8
[M]+ 200.98961 161.5
[M]- 200.99071 161.5
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.