CID 86007

55780-25-1

Structural Information

Molecular Formula
C11H14N2O6
SMILES
C1CC(=O)N(C1C(=O)O)CN2C(CCC2=O)C(=O)O
InChI
InChI=1S/C11H14N2O6/c14-8-3-1-6(10(16)17)12(8)5-13-7(11(18)19)2-4-9(13)15/h6-7H,1-5H2,(H,16,17)(H,18,19)
InChIKey
XAYYGTJLXVXLMB-UHFFFAOYSA-N
Compound name
1-[(2-carboxy-5-oxopyrrolidin-1-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.08517 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.092446 157.4
[M+Na]+ 293.074388 163.3
[M-H]- 269.077894 159.0
[M+NH4]+ 288.118993 172.7
[M+K]+ 309.048328 161.8
[M+H-H2O]+ 253.082430 151.3
[M+HCOO]- 315.083371 172.7
[M+CH3COO]- 329.099021 191.4
[M+Na-2H]- 291.059836 152.9
[M]+ 270.08462142 154.7
[M]- 270.08571858 154.7
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

No patent data available for this compound.