CID 570108

1-benzoyl-4-hydroxypyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H13NO4
SMILES
C1C(CN(C1C(=O)O)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C12H13NO4/c14-9-6-10(12(16)17)13(7-9)11(15)8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2,(H,16,17)
InChIKey
YLJPKSKTKJEACX-UHFFFAOYSA-N
Compound name
1-benzoyl-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

235.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.091736 151.0
[M+Na]+ 258.073678 157.0
[M-H]- 234.077184 153.8
[M+NH4]+ 253.118283 167.4
[M+K]+ 274.047618 154.4
[M+H-H2O]+ 218.081720 144.3
[M+HCOO]- 280.082661 168.8
[M+CH3COO]- 294.098311 184.3
[M+Na-2H]- 256.059126 151.1
[M]+ 235.08391142 147.9
[M]- 235.08500858 147.9
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