CID 114537

13504-85-3

Structural Information

Molecular Formula
C13H15NO5
SMILES
C1C(CN(C1C(=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)
InChIKey
WWVCWLBEARZMAH-UHFFFAOYSA-N
Compound name
4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

574
Patents

265.09503 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10231 158.2
[M+Na]+ 288.08425 163.7
[M-H]- 264.08775 160.8
[M+NH4]+ 283.12885 173.4
[M+K]+ 304.05819 161.6
[M+H-H2O]+ 248.09229 151.2
[M+HCOO]- 310.09323 175.9
[M+CH3COO]- 324.10888 188.8
[M+Na-2H]- 286.06970 157.9
[M]+ 265.09448 156.8
[M]- 265.09558 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

No literature data available for this compound.

Patent stripe

patents stripe