CID 77261009

1934251-75-8

Structural Information

Molecular Formula

C₁₄H₁₇NO₅

SMILES

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

InChI

InChI=1S/C14H17NO5/c1-14(12(17)18)7-11(16)8-15(14)13(19)20-9-10-5-3-2-4-6-10/h2-6,11,16H,7-9H2,1H3,(H,17,18)

InChIKey

FHOUWOVYDRADDP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 279.1107 Da
Monoisotopic Mass: 1.0
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]+	280.117976	162.3
[M+Na]+	302.099918	168.4
[M-H]-	278.103424	165.1
[M+NH4]+	297.144523	179.0
[M+K]+	318.073858	166.3
[M+H-H2O]+	262.107960	156.1
[M+HCOO]-	324.108901	179.7
[M+CH3COO]-	338.124551	191.3
[M+Na-2H]-	300.085366	162.9
[M]+	279.11015142	161.7
[M]-	279.11124858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe