CID 66599215

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

Structural Information

Molecular Formula
C6H9N5O
SMILES
C1CN2C(=NN=C2C(=O)N)CN1
InChI
InChI=1S/C6H9N5O/c7-5(12)6-10-9-4-3-8-1-2-11(4)6/h8H,1-3H2,(H2,7,12)
InChIKey
OTOSLUADNQZCIY-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

167.0807 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08798 134.9
[M+Na]+ 190.06992 142.6
[M-H]- 166.07342 132.2
[M+NH4]+ 185.11452 151.3
[M+K]+ 206.04386 139.9
[M+H-H2O]+ 150.07796 126.5
[M+HCOO]- 212.07890 151.2
[M+CH3COO]- 226.09455 146.0
[M+Na-2H]- 188.05537 140.1
[M]+ 167.08015 129.5
[M]- 167.08125 129.5
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