CID 7074739

2873-36-1

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1

InChI

InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9-/m0/s1

InChIKey

SZJNCZMRZAUNQT-IUCAKERBSA-N

Compound name

(3S,8aS)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 28
References: 358
Patents: 210.13683 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]+	211.14411	149.9
[M+Na]+	233.12605	156.3
[M-H]-	209.12955	149.6
[M+NH4]+	228.17065	168.3
[M+K]+	249.09999	153.3
[M+H-H2O]+	193.13409	143.5
[M+HCOO]-	255.13503	164.2
[M+CH3COO]-	269.15068	185.8
[M+Na-2H]-	231.11150	149.8
[M]+	210.13628	145.5
[M]-	210.13738	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe