CID 132327687

1-benzyl 2-methyl 4-hydroxy-2-methylpyrrolidine-1,2-dicarboxylate

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC1(CC(CN1C(=O)OCC2=CC=CC=C2)O)C(=O)OC
InChI
InChI=1S/C15H19NO5/c1-15(13(18)20-2)8-12(17)9-16(15)14(19)21-10-11-6-4-3-5-7-11/h3-7,12,17H,8-10H2,1-2H3
InChIKey
NRKVACIZPOYCQM-UHFFFAOYSA-N
Compound name
1-O-benzyl 2-O-methyl 4-hydroxy-2-methylpyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 167.6
[M+Na]+ 316.11552 176.5
[M+NH4]+ 311.16012 174.2
[M+K]+ 332.08946 172.7
[M-H]- 292.11902 167.5
[M+Na-2H]- 314.10097 172.2
[M]+ 293.12575 168.5
[M]- 293.12685 168.5
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

No patent data available for this compound.