CID 756618

(3s)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1[C@@H](CN(C1=O)C2=CC=CC=C2O)C(=O)O
InChI
InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1
InChIKey
FPQOSKXLHCTVED-ZETCQYMHSA-N
Compound name
(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

221.0688 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 145.7
[M+Na]+ 244.058018 153.3
[M-H]- 220.061524 148.9
[M+NH4]+ 239.102623 163.0
[M+K]+ 260.031958 150.5
[M+H-H2O]+ 204.066060 139.4
[M+HCOO]- 266.067001 164.9
[M+CH3COO]- 280.082651 182.2
[M+Na-2H]- 242.043466 146.9
[M]+ 221.06825142 143.4
[M]- 221.06934858 143.4
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