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]+ 201.997436 139.4
[M+Na]+ 223.979378 154.6
[M-H]- 199.982884 145.1
[M+NH4]+ 219.023983 157.0
[M+K]+ 239.953318 143.0
[M+H-H2O]+ 183.987420 139.0
[M+HCOO]- 245.988361 158.6
[M+CH3COO]- 260.004011 154.2
[M+Na-2H]- 221.964826 147.4
[M]+ 200.98961142 158.3
[M]- 200.99070858 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.