CID 20692018

1375847-55-4

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CN1C(=O)C2CNCCN2C1=O

InChI

InChI=1S/C7H11N3O2/c1-9-6(11)5-4-8-2-3-10(5)7(9)12/h5,8H,2-4H2,1H3

InChIKey

JFKPCHOCFGJEHG-UHFFFAOYSA-N

Compound name

2-methyl-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: 21
Patents: 169.08513 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]+	170.09241	137.0
[M+Na]+	192.07435	145.4
[M-H]-	168.07785	135.9
[M+NH4]+	187.11895	155.7
[M+K]+	208.04829	142.8
[M+H-H2O]+	152.08239	130.1
[M+HCOO]-	214.08333	152.3
[M+CH3COO]-	228.09898	175.7
[M+Na-2H]-	190.05980	139.8
[M]+	169.08458	132.3
[M]-	169.08568	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe