CID 51072220

866319-07-5

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

C1[C@@H]2[C@H](CN1)C(=O)NC2=O

InChI

InChI=1S/C6H8N2O2/c9-5-3-1-7-2-4(3)6(10)8-5/h3-4,7H,1-2H2,(H,8,9,10)/t3-,4+

InChIKey

TXVCGCJYCUKMIM-ZXZARUISSA-N

Compound name

(3aS,6aR)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 140.05858 Da
Monoisotopic Mass: -1.6
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]+	141.06586	129.2
[M+Na]+	163.04780	137.2
[M+NH4]+	158.09240	136.3
[M+K]+	179.02174	136.9
[M-H]-	139.05130	127.3
[M+Na-2H]-	161.03325	129.9
[M]+	140.05803	129.2
[M]-	140.05913	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe