CID 391517

13504-85-3

Structural Information

Molecular Formula
C13H15NO5
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C13H15NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)/t10-,11+/m1/s1
InChIKey
WWVCWLBEARZMAH-MNOVXSKESA-N
Compound name
(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

543
Patents

265.09503 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.102306 158.2
[M+Na]+ 288.084248 163.7
[M-H]- 264.087754 160.8
[M+NH4]+ 283.128853 173.4
[M+K]+ 304.058188 161.6
[M+H-H2O]+ 248.092290 151.2
[M+HCOO]- 310.093231 175.9
[M+CH3COO]- 324.108881 188.8
[M+Na-2H]- 286.069696 157.9
[M]+ 265.09448142 156.8
[M]- 265.09557858 156.8
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

patents stripe