CID 67300330

1375909-46-8

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

C1CN2C(CN1)C(=O)NC2=O

InChI

InChI=1S/C6H9N3O2/c10-5-4-3-7-1-2-9(4)6(11)8-5/h4,7H,1-3H2,(H,8,10,11)

InChIKey

HFCGVLJIQWUCMA-UHFFFAOYSA-N

Compound name

6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 155.06947 Da
Monoisotopic Mass: -1.5
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]+	156.07675	133.2
[M+Na]+	178.05869	140.7
[M-H]-	154.06219	130.5
[M+NH4]+	173.10329	151.5
[M+K]+	194.03263	137.5
[M+H-H2O]+	138.06673	126.4
[M+HCOO]-	200.06767	147.3
[M+CH3COO]-	214.08332	169.1
[M+Na-2H]-	176.04414	136.8
[M]+	155.06892	125.9
[M]-	155.07002	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe