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

11
Patents

167.0807 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.087976 134.9
[M+Na]+ 190.069918 142.6
[M-H]- 166.073424 132.2
[M+NH4]+ 185.114523 151.3
[M+K]+ 206.043858 139.9
[M+H-H2O]+ 150.077960 126.5
[M+HCOO]- 212.078901 151.2
[M+CH3COO]- 226.094551 146.0
[M+Na-2H]- 188.055366 140.1
[M]+ 167.08015142 129.5
[M]- 167.08124858 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