CID 83872309

1554483-44-1

Structural Information

Molecular Formula
C5H9N5
SMILES
C1CN2C(=NC(=N2)N)CN1
InChI
InChI=1S/C5H9N5/c6-5-8-4-3-7-1-2-10(4)9-5/h7H,1-3H2,(H2,6,9)
InChIKey
VMWDAFXSOPGHSJ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.0858 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.093076 128.1
[M+Na]+ 162.075018 136.4
[M-H]- 138.078524 125.4
[M+NH4]+ 157.119623 145.9
[M+K]+ 178.048958 133.5
[M+H-H2O]+ 122.083060 119.9
[M+HCOO]- 184.084001 145.4
[M+CH3COO]- 198.099651 139.9
[M+Na-2H]- 160.060466 135.0
[M]+ 139.08525142 122.3
[M]- 139.08634858 122.3
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.