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]+ 228.01309 162.5
[M+Na]+ 249.99503 175.7
[M-H]- 225.99853 170.9
[M+NH4]+ 245.03963 171.8
[M+K]+ 265.96897 164.8
[M+H-H2O]+ 210.00307 160.5
[M+HCOO]- 272.00401 180.2
[M+CH3COO]- 286.01966 174.0
[M+Na-2H]- 247.98048 165.4
[M]+ 227.00526 180.7
[M]- 227.00636 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.