CID 125424465

3-bromo-4,5-dicyclopropyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C8H10BrN3
SMILES
C1CC1C2=NN=C(N2C3CC3)Br
InChI
InChI=1S/C8H10BrN3/c9-8-11-10-7(5-1-2-5)12(8)6-3-4-6/h5-6H,1-4H2
InChIKey
IRLLRDFCURSIPY-UHFFFAOYSA-N
Compound name
3-bromo-4,5-dicyclopropyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.00581 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.013086 162.5
[M+Na]+ 249.995028 175.7
[M-H]- 225.998534 170.9
[M+NH4]+ 245.039633 171.8
[M+K]+ 265.968968 164.8
[M+H-H2O]+ 210.003070 160.5
[M+HCOO]- 272.004011 180.2
[M+CH3COO]- 286.019661 174.0
[M+Na-2H]- 247.980476 165.4
[M]+ 227.00526142 180.7
[M]- 227.00635858 180.7
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.