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: 3
Patents: 154.08546 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.092736	132.4
[M+Na]+	177.074678	142.2
[M-H]-	153.078184	130.3
[M+NH4]+	172.119283	150.4
[M+K]+	193.048618	139.3
[M+H-H2O]+	137.082720	124.5
[M+HCOO]-	199.083661	149.2
[M+CH3COO]-	213.099311	144.6
[M+Na-2H]-	175.060126	138.2
[M]+	154.08491142	129.6
[M]-	154.08600858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe