CID 16228902

2460756-00-5

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CCOC(=O)C1CC2CN(CC2N1)C(=O)OCC
InChI
InChI=1S/C12H20N2O4/c1-3-17-11(15)9-5-8-6-14(7-10(8)13-9)12(16)18-4-2/h8-10,13H,3-7H2,1-2H3
InChIKey
IJJLZQQRZTWPDM-UHFFFAOYSA-N
Compound name
diethyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

256.1423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.149576 161.7
[M+Na]+ 279.131518 167.0
[M-H]- 255.135024 161.6
[M+NH4]+ 274.176123 179.7
[M+K]+ 295.105458 165.8
[M+H-H2O]+ 239.139560 155.3
[M+HCOO]- 301.140501 177.3
[M+CH3COO]- 315.156151 190.6
[M+Na-2H]- 277.116966 159.4
[M]+ 256.14175142 161.4
[M]- 256.14284858 161.4
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