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

6
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 136.0
[M+Na]+ 202.06992 147.4
[M-H]- 178.07342 134.8
[M+NH4]+ 197.11452 152.7
[M+K]+ 218.04386 143.5
[M+H-H2O]+ 162.07796 128.1
[M+HCOO]- 224.07890 156.4
[M+CH3COO]- 238.09455 148.7
[M+Na-2H]- 200.05537 143.1
[M]+ 179.08015 135.7
[M]- 179.08125 135.7
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