CID 126836961

2089258-76-2

Structural Information

Molecular Formula
C7H9N5O
SMILES
CC(C1=NN=C2N1C=CNC2=O)N
InChI
InChI=1S/C7H9N5O/c1-4(8)5-10-11-6-7(13)9-2-3-12(5)6/h2-4H,8H2,1H3,(H,9,13)
InChIKey
SGWIEWFROZCBRK-UHFFFAOYSA-N
Compound name
3-(1-aminoethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

179.0807 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 134.7
[M+Na]+ 202.06992 146.8
[M+NH4]+ 197.11452 140.9
[M+K]+ 218.04386 144.5
[M-H]- 178.07342 133.9
[M+Na-2H]- 200.05537 139.9
[M]+ 179.08015 135.8
[M]- 179.08125 135.8
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