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 149.6
[M+Na]+ 253.07949 154.5
[M-H]- 229.08299 148.4
[M+NH4]+ 248.12409 165.6
[M+K]+ 269.05343 153.4
[M+H-H2O]+ 213.08753 143.5
[M+HCOO]- 275.08847 166.6
[M+CH3COO]- 289.10412 187.3
[M+Na-2H]- 251.06494 147.2
[M]+ 230.08972 146.2
[M]- 230.09082 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.