CID 55300589

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

Structural Information

Molecular Formula
C5H8N4O
SMILES
C1CN2C(=NNC2=O)CN1
InChI
InChI=1S/C5H8N4O/c10-5-8-7-4-3-6-1-2-9(4)5/h6H,1-3H2,(H,8,10)
InChIKey
SWOTWEKUILBXMG-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

140.06981 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.07709 128.2
[M+Na]+ 163.05903 137.1
[M-H]- 139.06253 124.5
[M+NH4]+ 158.10363 145.7
[M+K]+ 179.03297 133.6
[M+H-H2O]+ 123.06707 120.4
[M+HCOO]- 185.06801 143.8
[M+CH3COO]- 199.08366 139.8
[M+Na-2H]- 161.04448 134.8
[M]+ 140.06926 122.8
[M]- 140.07036 122.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe