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]+ 140.09308 128.1
[M+Na]+ 162.07502 136.4
[M-H]- 138.07852 125.4
[M+NH4]+ 157.11962 145.9
[M+K]+ 178.04896 133.5
[M+H-H2O]+ 122.08306 119.9
[M+HCOO]- 184.08400 145.4
[M+CH3COO]- 198.09965 139.9
[M+Na-2H]- 160.06047 135.0
[M]+ 139.08525 122.3
[M]- 139.08635 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.