CID 22562190

1376340-66-7

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

C1CN2C(CN1)CNC2=O

InChI

InChI=1S/C6H11N3O/c10-6-8-4-5-3-7-1-2-9(5)6/h5,7H,1-4H2,(H,8,10)

InChIKey

RTGLANPQFMENLF-UHFFFAOYSA-N

Compound name

2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 141.09021 Da
Monoisotopic Mass: -1.3
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]+	142.09749	131.0
[M+Na]+	164.07943	139.9
[M+NH4]+	159.12403	138.3
[M+K]+	180.05337	137.0
[M-H]-	140.08293	129.6
[M+Na-2H]-	162.06488	132.9
[M]+	141.08966	131.3
[M]-	141.09076	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe