CID 18423627

1187930-35-3

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

C1CNCCC1OCC(=O)O

InChI

InChI=1S/C7H13NO3/c9-7(10)5-11-6-1-3-8-4-2-6/h6,8H,1-5H2,(H,9,10)

InChIKey

KSGBFAJYSBCOGG-UHFFFAOYSA-N

Compound name

2-piperidin-4-yloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 140
Patents: 159.08954 Da
Monoisotopic Mass: -2.5
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]+	160.096816	134.5
[M+Na]+	182.078758	138.6
[M-H]-	158.082264	132.9
[M+NH4]+	177.123363	152.0
[M+K]+	198.052698	137.4
[M+H-H2O]+	142.086800	128.3
[M+HCOO]-	204.087741	150.8
[M+CH3COO]-	218.103391	169.9
[M+Na-2H]-	180.064206	138.5
[M]+	159.08899142	129.0
[M]-	159.09008858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe