CID 1476249

(2s,4r)-methyl 1-benzoyl-4-hydroxypyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C13H15NO4
SMILES
COC(=O)[C@@H]1C[C@H](CN1C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C13H15NO4/c1-18-13(17)11-7-10(15)8-14(11)12(16)9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3/t10-,11+/m1/s1
InChIKey
QEQGWOLBDNOSAD-MNOVXSKESA-N
Compound name
methyl (2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

249.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 155.2
[M+Na]+ 272.089328 161.3
[M-H]- 248.092834 159.2
[M+NH4]+ 267.133933 171.9
[M+K]+ 288.063268 159.4
[M+H-H2O]+ 232.097370 148.2
[M+HCOO]- 294.098311 174.3
[M+CH3COO]- 308.113961 189.0
[M+Na-2H]- 270.074776 155.2
[M]+ 249.09956142 154.2
[M]- 249.10065858 154.2
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