CID 22562203

866319-08-6

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1C2CNC(=O)C2CN1

InChI

InChI=1S/C6H10N2O/c9-6-5-3-7-1-4(5)2-8-6/h4-5,7H,1-3H2,(H,8,9)

InChIKey

SYPKIQNBMOELDJ-UHFFFAOYSA-N

Compound name

2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 126.079315 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]+	127.08659	127.3
[M+Na]+	149.06853	134.5
[M-H]-	125.07204	126.1
[M+NH4]+	144.11314	149.8
[M+K]+	165.04247	131.8
[M+H-H2O]+	109.07658	121.5
[M+HCOO]-	171.07752	144.6
[M+CH3COO]-	185.09317	139.6
[M+Na-2H]-	147.05398	130.2
[M]+	126.07877	120.5
[M]-	126.07986	120.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe