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 166.3
[M+Na]+ 316.11552 172.5
[M-H]- 292.11902 170.4
[M+NH4]+ 311.16012 183.3
[M+K]+ 332.08946 171.0
[M+H-H2O]+ 276.12356 159.7
[M+HCOO]- 338.12450 185.0
[M+CH3COO]- 352.14015 196.0
[M+Na-2H]- 314.10097 166.9
[M]+ 293.12575 167.8
[M]- 293.12685 167.8
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

No patent data available for this compound.