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

11
Patents

256.1423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 161.7
[M+Na]+ 279.13152 167.0
[M-H]- 255.13502 161.6
[M+NH4]+ 274.17612 179.7
[M+K]+ 295.10546 165.8
[M+H-H2O]+ 239.13956 155.3
[M+HCOO]- 301.14050 177.3
[M+CH3COO]- 315.15615 190.6
[M+Na-2H]- 277.11697 159.4
[M]+ 256.14175 161.4
[M]- 256.14285 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