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

1
Patents

200.99016 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 141.2
[M+Na]+ 223.979378 157.0
[M-H]- 199.982884 148.1
[M+NH4]+ 219.023983 157.9
[M+K]+ 239.953318 145.3
[M+H-H2O]+ 183.987420 139.6
[M+HCOO]- 245.988361 161.9
[M+CH3COO]- 260.004011 156.4
[M+Na-2H]- 221.964826 147.8
[M]+ 200.98961142 161.5
[M]- 200.99070858 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

patents stripe