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
1
Annotation Hits

0
References

349
Patents

284.10083 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10811 161.8
[M+Na]+ 307.09005 167.3
[M-H]- 283.09355 163.2
[M+NH4]+ 302.13465 176.5
[M+K]+ 323.06399 165.6
[M+H-H2O]+ 267.09809 155.5
[M+HCOO]- 329.09903 176.8
[M+CH3COO]- 343.11468 194.4
[M+Na-2H]- 305.07550 156.9
[M]+ 284.10028 159.5
[M]- 284.10138 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