CID 3016410

43094-97-9

Structural Information

Molecular Formula
C7H9NO5
SMILES
C1C(CN(C1=O)CC(=O)O)C(=O)O
InChI
InChI=1S/C7H9NO5/c9-5-1-4(7(12)13)2-8(5)3-6(10)11/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKey
OQUYXNFDGIIAES-UHFFFAOYSA-N
Compound name
1-(carboxymethyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

187.04807 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.055346 136.2
[M+Na]+ 210.037288 143.2
[M-H]- 186.040794 135.9
[M+NH4]+ 205.081893 154.7
[M+K]+ 226.011228 142.4
[M+H-H2O]+ 170.045330 131.0
[M+HCOO]- 232.046271 154.5
[M+CH3COO]- 246.061921 175.5
[M+Na-2H]- 208.022736 136.7
[M]+ 187.04752142 134.5
[M]- 187.04861858 134.5
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