CID 23449728

2248397-72-8

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

C1CCN(CC1)CCOCC(=O)O

InChI

InChI=1S/C9H17NO3/c11-9(12)8-13-7-6-10-4-2-1-3-5-10/h1-8H2,(H,11,12)

InChIKey

CVLMZHPHYCWRFQ-UHFFFAOYSA-N

Compound name

2-(2-piperidin-1-ylethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 187.12085 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]+	188.128126	142.8
[M+Na]+	210.110068	146.5
[M-H]-	186.113574	142.3
[M+NH4]+	205.154673	159.9
[M+K]+	226.084008	145.7
[M+H-H2O]+	170.118110	136.0
[M+HCOO]-	232.119051	160.0
[M+CH3COO]-	246.134701	178.5
[M+Na-2H]-	208.095516	146.2
[M]+	187.12030142	140.0
[M]-	187.12139858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe