CID 57097192

2411315-09-6

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CN1CCC(CC1)OCCC(=O)O

InChI

InChI=1S/C9H17NO3/c1-10-5-2-8(3-6-10)13-7-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)

InChIKey

NSUQLISXZTYDCR-UHFFFAOYSA-N

Compound name

3-(1-methylpiperidin-4-yl)oxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 187.12085 Da
Monoisotopic Mass: -2.1
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]+	188.12813	142.5
[M+Na]+	210.11007	151.5
[M+NH4]+	205.15467	149.2
[M+K]+	226.08401	147.0
[M-H]-	186.11357	142.0
[M+Na-2H]-	208.09552	145.3
[M]+	187.12030	143.2
[M]-	187.12140	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe