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]+ 180.087976 136.0
[M+Na]+ 202.069918 147.4
[M-H]- 178.073424 134.8
[M+NH4]+ 197.114523 152.7
[M+K]+ 218.043858 143.5
[M+H-H2O]+ 162.077960 128.1
[M+HCOO]- 224.078901 156.4
[M+CH3COO]- 238.094551 148.7
[M+Na-2H]- 200.055366 143.1
[M]+ 179.08015142 135.7
[M]- 179.08124858 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