CID 131632028

1-[(benzyloxy)carbonyl]-4-methoxy-2-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula

C₁₅H₁₉NO₅

SMILES

CC1(CC(CN1C(=O)OCC2=CC=CC=C2)OC)C(=O)O

InChI

InChI=1S/C15H19NO5/c1-15(13(17)18)8-12(20-2)9-16(15)14(19)21-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,17,18)

InChIKey

UQFACOHOWNNHCO-UHFFFAOYSA-N

Compound name

4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.1263 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.133576	166.0
[M+Na]+	316.115518	172.1
[M-H]-	292.119024	170.0
[M+NH4]+	311.160123	182.9
[M+K]+	332.089458	170.7
[M+H-H2O]+	276.123560	159.4
[M+HCOO]-	338.124501	184.7
[M+CH3COO]-	352.140151	196.7
[M+Na-2H]-	314.100966	166.6
[M]+	293.12575142	167.6
[M]-	293.12684858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.