CID 115022449

1892463-85-2

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CC1(CC1)C2=NC(=NN2)Br
InChI
InChI=1S/C6H8BrN3/c1-6(2-3-6)4-8-5(7)10-9-4/h2-3H2,1H3,(H,8,9,10)
InChIKey
PMYIMUHNXNYDQS-UHFFFAOYSA-N
Compound name
3-bromo-5-(1-methylcyclopropyl)-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.99016 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99744 139.4
[M+Na]+ 223.97938 154.6
[M-H]- 199.98288 145.1
[M+NH4]+ 219.02398 157.0
[M+K]+ 239.95332 143.0
[M+H-H2O]+ 183.98742 139.0
[M+HCOO]- 245.98836 158.6
[M+CH3COO]- 260.00401 154.2
[M+Na-2H]- 221.96483 147.4
[M]+ 200.98961 158.3
[M]- 200.99071 158.3
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.