CID 72213348

1260663-45-3

Structural Information

Molecular Formula
C5H7BrN4
SMILES
C1CN2C(=NC(=N2)Br)CN1
InChI
InChI=1S/C5H7BrN4/c6-5-8-4-3-7-1-2-10(4)9-5/h7H,1-3H2
InChIKey
BNVAZAPQPSGAOX-UHFFFAOYSA-N
Compound name
2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

201.98541 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.99269 133.6
[M+Na]+ 224.97463 146.0
[M-H]- 200.97813 134.5
[M+NH4]+ 220.01923 153.4
[M+K]+ 240.94857 135.2
[M+H-H2O]+ 184.98267 132.6
[M+HCOO]- 246.98361 148.8
[M+CH3COO]- 260.99926 147.6
[M+Na-2H]- 222.96008 142.1
[M]+ 201.98486 148.5
[M]- 201.98596 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