CID 84036935

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

Structural Information

Molecular Formula
C7H10BrN3
SMILES
CN1C(=NC(=N1)C2CCC2)Br
InChI
InChI=1S/C7H10BrN3/c1-11-7(8)9-6(10-11)5-3-2-4-5/h5H,2-4H2,1H3
InChIKey
GMOOCBZTZWTWBD-UHFFFAOYSA-N
Compound name
5-bromo-3-cyclobutyl-1-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00581 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01309 128.1
[M+Na]+ 237.99503 139.9
[M-H]- 213.99853 133.9
[M+NH4]+ 233.03963 142.8
[M+K]+ 253.96897 132.8
[M+H-H2O]+ 198.00307 122.7
[M+HCOO]- 260.00401 146.7
[M+CH3COO]- 274.01966 187.7
[M+Na-2H]- 235.98048 135.0
[M]+ 215.00526 153.8
[M]- 215.00636 153.8
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.