CID 83638264

1505238-82-3

Structural Information

Molecular Formula
C6H10BrN3
SMILES
CC(C)CN1C(=NC=N1)Br
InChI
InChI=1S/C6H10BrN3/c1-5(2)3-10-6(7)8-4-9-10/h4-5H,3H2,1-2H3
InChIKey
KADGVJIIKWUHEV-UHFFFAOYSA-N
Compound name
5-bromo-1-(2-methylpropyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.00581 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.01309 134.4
[M+Na]+ 225.99503 147.3
[M-H]- 201.99853 137.4
[M+NH4]+ 221.03963 155.4
[M+K]+ 241.96897 137.6
[M+H-H2O]+ 186.00307 133.4
[M+HCOO]- 248.00401 153.8
[M+CH3COO]- 262.01966 183.2
[M+Na-2H]- 223.98048 141.2
[M]+ 203.00526 153.9
[M]- 203.00636 153.9
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.