CID 14101166

(2s,3's)-alpha-amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid

Structural Information

Molecular Formula
C9H14N2O5
SMILES
C1CC(=O)N(C1C(=O)O)CCC(C(=O)O)N
InChI
InChI=1S/C9H14N2O5/c10-5(8(13)14)3-4-11-6(9(15)16)1-2-7(11)12/h5-6H,1-4,10H2,(H,13,14)(H,15,16)
InChIKey
IAWKAVWGVXBNLH-UHFFFAOYSA-N
Compound name
1-(3-amino-3-carboxypropyl)-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

230.09027 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09755 150.8
[M+Na]+ 253.07949 155.2
[M+NH4]+ 248.12409 154.1
[M+K]+ 269.05343 156.7
[M-H]- 229.08299 147.0
[M+Na-2H]- 251.06494 149.1
[M]+ 230.08972 149.3
[M]- 230.09082 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.