CID 155977911

5-(bromomethyl)-3-cyclopropyl-1h-1,2,4-triazole hydrobromide

Structural Information

Molecular Formula
C6H8BrN3
SMILES
C1CC1C2=NNC(=N2)CBr
InChI
InChI=1S/C6H8BrN3/c7-3-5-8-6(10-9-5)4-1-2-4/h4H,1-3H2,(H,8,9,10)
InChIKey
AEDJSQUUWSEDDW-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-cyclopropyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.99016 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 140.7
[M+Na]+ 223.979378 155.3
[M-H]- 199.982884 146.0
[M+NH4]+ 219.023983 156.5
[M+K]+ 239.953318 142.8
[M+H-H2O]+ 183.987420 139.2
[M+HCOO]- 245.988361 160.1
[M+CH3COO]- 260.004011 155.1
[M+Na-2H]- 221.964826 147.7
[M]+ 200.98961142 159.1
[M]- 200.99070858 159.1
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.