CID 44828596

886362-65-8

Structural Information

Molecular Formula

C₁₄H₁₇NO₄

SMILES

C1CN(CC1CC(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO4/c16-13(17)8-12-6-7-15(9-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)

InChIKey

IUYVTLSEDKQGQY-UHFFFAOYSA-N

Compound name

2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 263.11575 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]+	264.123026	160.3
[M+Na]+	286.104968	165.0
[M-H]-	262.108474	163.7
[M+NH4]+	281.149573	176.1
[M+K]+	302.078908	162.9
[M+H-H2O]+	246.113010	152.7
[M+HCOO]-	308.113951	179.0
[M+CH3COO]-	322.129601	190.8
[M+Na-2H]-	284.090416	160.4
[M]+	263.11520142	159.3
[M]-	263.11629858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe