CID 66274045

2-methyl-2h,3h,5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]piperazin-3-one

Structural Information

Molecular Formula
C6H10N4O
SMILES
CN1C(=O)N2CCNCC2=N1
InChI
InChI=1S/C6H10N4O/c1-9-6(11)10-3-2-7-4-5(10)8-9/h7H,2-4H2,1H3
InChIKey
UXJQJZWSAVORIW-UHFFFAOYSA-N
Compound name
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

154.08546 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 132.4
[M+Na]+ 177.07468 142.2
[M-H]- 153.07818 130.3
[M+NH4]+ 172.11928 150.4
[M+K]+ 193.04862 139.3
[M+H-H2O]+ 137.08272 124.5
[M+HCOO]- 199.08366 149.2
[M+CH3COO]- 213.09931 144.6
[M+Na-2H]- 175.06013 138.2
[M]+ 154.08491 129.6
[M]- 154.08601 129.6
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