CID 44148778

5-oxo-1-l-prolyl-l-proline

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C1C[C@H](NC1)C(=O)N2[C@@H](CCC2=O)C(=O)O
InChI
InChI=1S/C10H14N2O4/c13-8-4-3-7(10(15)16)12(8)9(14)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,15,16)/t6-,7-/m0/s1
InChIKey
RSZZIJPHQIDLTR-BQBZGAKWSA-N
Compound name
(2S)-5-oxo-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09535 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.102626 151.4
[M+Na]+ 249.084568 156.2
[M-H]- 225.088074 152.5
[M+NH4]+ 244.129173 168.3
[M+K]+ 265.058508 154.3
[M+H-H2O]+ 209.092610 144.7
[M+HCOO]- 271.093551 166.5
[M+CH3COO]- 285.109201 181.4
[M+Na-2H]- 247.070016 148.0
[M]+ 226.09480142 145.3
[M]- 226.09589858 145.3
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.