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

18
Patents

140.05858 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 129.0
[M+Na]+ 163.047798 137.2
[M-H]- 139.051304 128.2
[M+NH4]+ 158.092403 151.0
[M+K]+ 179.021738 134.4
[M+H-H2O]+ 123.055840 123.5
[M+HCOO]- 185.056781 146.7
[M+CH3COO]- 199.072431 166.2
[M+Na-2H]- 161.033246 131.3
[M]+ 140.05803142 123.3
[M]- 140.05912858 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe