CID 91691078

2375260-00-5

Structural Information

Molecular Formula
C6H10BrN5
SMILES
C1CN(CCN1)C2=NNC(=N2)Br
InChI
InChI=1S/C6H10BrN5/c7-5-9-6(11-10-5)12-3-1-8-2-4-12/h8H,1-4H2,(H,9,10,11)
InChIKey
GQSRTTBKEGQYRD-UHFFFAOYSA-N
Compound name
1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.01196 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01924 141.8
[M+Na]+ 254.00118 152.1
[M-H]- 230.00468 141.9
[M+NH4]+ 249.04578 157.1
[M+K]+ 269.97512 140.3
[M+H-H2O]+ 214.00922 139.4
[M+HCOO]- 276.01016 154.1
[M+CH3COO]- 290.02581 153.7
[M+Na-2H]- 251.98663 147.7
[M]+ 231.01141 153.1
[M]- 231.01251 153.1
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.