CID 14231208

3-(piperidin-2-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1CCNC(C1)CCC(=O)O

InChI

InChI=1S/C8H15NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h7,9H,1-6H2,(H,10,11)

InChIKey

AYRHHRXKZJGDSA-UHFFFAOYSA-N

Compound name

3-piperidin-2-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 157.11028 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]+	158.117556	136.3
[M+Na]+	180.099498	140.1
[M-H]-	156.103004	134.6
[M+NH4]+	175.144103	154.0
[M+K]+	196.073438	138.1
[M+H-H2O]+	140.107540	130.2
[M+HCOO]-	202.108481	152.1
[M+CH3COO]-	216.124131	170.8
[M+Na-2H]-	178.084946	139.8
[M]+	157.10973142	129.8
[M]-	157.11082858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe