CID 52903749

224456-41-1

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

CCOC(=O)C1CCN(CC1)CC(=O)O

InChI

InChI=1S/C10H17NO4/c1-2-15-10(14)8-3-5-11(6-4-8)7-9(12)13/h8H,2-7H2,1H3,(H,12,13)

InChIKey

HRGCBRJWXRHEJU-UHFFFAOYSA-N

Compound name

2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 215.11575 Da
Monoisotopic Mass: -1.7
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]+	216.12303	148.8
[M+Na]+	238.10497	156.9
[M+NH4]+	233.14957	154.4
[M+K]+	254.07891	153.5
[M-H]-	214.10847	147.2
[M+Na-2H]-	236.09042	150.5
[M]+	215.11520	148.9
[M]-	215.11630	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe