CID 131165986

1934372-42-5

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₄

SMILES

CC(C)(C)OC(=O)N1CCN2C(C1)C(=O)NC2=O

InChI

InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-4-5-14-7(6-13)8(15)12-9(14)16/h7H,4-6H2,1-3H3,(H,12,15,16)

InChIKey

DBLHOCRPOWKYJA-UHFFFAOYSA-N

Compound name

tert-butyl 1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 255.1219 Da
Monoisotopic Mass: -0.2
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]+	256.129176	159.9
[M+Na]+	278.111118	166.8
[M-H]-	254.114624	158.7
[M+NH4]+	273.155723	175.2
[M+K]+	294.085058	164.9
[M+H-H2O]+	238.119160	153.4
[M+HCOO]-	300.120101	171.9
[M+CH3COO]-	314.135751	190.6
[M+Na-2H]-	276.096566	161.0
[M]+	255.12135142	157.5
[M]-	255.12244858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe