CID 17998722

3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

Structural Information

Molecular Formula
C5H7BrN4
SMILES
C1CN2C(=NN=C2Br)CN1
InChI
InChI=1S/C5H7BrN4/c6-5-9-8-4-3-7-1-2-10(4)5/h7H,1-3H2
InChIKey
CDQFNNODMQLMFW-UHFFFAOYSA-N
Compound name
3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

201.98541 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.992686 133.6
[M+Na]+ 224.974628 146.0
[M-H]- 200.978134 134.5
[M+NH4]+ 220.019233 153.4
[M+K]+ 240.948568 135.2
[M+H-H2O]+ 184.982670 132.6
[M+HCOO]- 246.983611 148.8
[M+CH3COO]- 260.999261 147.6
[M+Na-2H]- 222.960076 142.1
[M]+ 201.98486142 148.5
[M]- 201.98595858 148.5
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

patents stripe