CID 1512594

2-(piperidin-4-yl)acetic acid

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1CNCCC1CC(=O)O

InChI

InChI=1S/C7H13NO2/c9-7(10)5-6-1-3-8-4-2-6/h6,8H,1-5H2,(H,9,10)

InChIKey

YFNOTMRKVGZZNF-UHFFFAOYSA-N

Compound name

2-piperidin-4-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1934
Patents: 143.09464 Da
Monoisotopic Mass: -2.2
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]+	144.10192	131.8
[M+Na]+	166.08386	136.1
[M-H]-	142.08736	130.3
[M+NH4]+	161.12846	150.1
[M+K]+	182.05780	134.3
[M+H-H2O]+	126.09190	126.0
[M+HCOO]-	188.09284	148.0
[M+CH3COO]-	202.10849	167.8
[M+Na-2H]-	164.06931	135.8
[M]+	143.09409	124.9
[M]-	143.09519	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe