CID 2809704

Maybridge3_001490

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₄

SMILES

C1CN(CCC1N2C=CC=C2)C(=O)COCC(=O)O

InChI

InChI=1S/C13H18N2O4/c16-12(9-19-10-13(17)18)15-7-3-11(4-8-15)14-5-1-2-6-14/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)

InChIKey

CTFDOZUUGNTVSG-UHFFFAOYSA-N

Compound name

2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 266.12665 Da
Monoisotopic Mass: 0.1
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]+	267.133926	160.9
[M+Na]+	289.115868	164.8
[M-H]-	265.119374	162.6
[M+NH4]+	284.160473	174.9
[M+K]+	305.089808	163.0
[M+H-H2O]+	249.123910	152.4
[M+HCOO]-	311.124851	177.1
[M+CH3COO]-	325.140501	191.6
[M+Na-2H]-	287.101316	160.5
[M]+	266.12610142	158.6
[M]-	266.12719858	158.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.