CID 71756308

[1,2,4]triazolo[4,3-a]pyrazin-5-amine

Structural Information

Molecular Formula
C5H5N5
SMILES
C1=C(N2C=NN=C2C=N1)N
InChI
InChI=1S/C5H5N5/c6-4-1-7-2-5-9-8-3-10(4)5/h1-3H,6H2
InChIKey
ONDLFWRSGZXYFZ-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[4,3-a]pyrazin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.05449 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.06177 122.7
[M+Na]+ 158.04371 134.6
[M-H]- 134.04721 122.5
[M+NH4]+ 153.08831 141.7
[M+K]+ 174.01765 131.7
[M+H-H2O]+ 118.05175 114.5
[M+HCOO]- 180.05269 145.8
[M+CH3COO]- 194.06834 136.8
[M+Na-2H]- 156.02916 133.3
[M]+ 135.05394 123.0
[M]- 135.05504 123.0
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.