CID 102876

1,1'-(ethylene)bis(5-oxopyrrolidine-3-carboxylic) acid

Structural Information

Molecular Formula
C12H16N2O6
SMILES
C1C(CN(C1=O)CCN2CC(CC2=O)C(=O)O)C(=O)O
InChI
InChI=1S/C12H16N2O6/c15-9-3-7(11(17)18)5-13(9)1-2-14-6-8(12(19)20)4-10(14)16/h7-8H,1-6H2,(H,17,18)(H,19,20)
InChIKey
OGLQPNPPUWVJFV-UHFFFAOYSA-N
Compound name
1-[2-(4-carboxy-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

344
Patents

284.10083 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.108106 161.8
[M+Na]+ 307.090048 167.3
[M-H]- 283.093554 163.2
[M+NH4]+ 302.134653 176.5
[M+K]+ 323.063988 165.6
[M+H-H2O]+ 267.098090 155.5
[M+HCOO]- 329.099031 176.8
[M+CH3COO]- 343.114681 194.4
[M+Na-2H]- 305.075496 156.9
[M]+ 284.10028142 159.5
[M]- 284.10137858 159.5
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