CID 19965467

2-methyl-2-(piperidin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)(C(=O)O)N1CCCCC1

InChI

InChI=1S/C9H17NO2/c1-9(2,8(11)12)10-6-4-3-5-7-10/h3-7H2,1-2H3,(H,11,12)

InChIKey

HGQPYEFYBJOTTF-UHFFFAOYSA-N

Compound name

2-methyl-2-piperidin-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 171.12593 Da
Monoisotopic Mass: -1.0
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]+	172.13321	139.3
[M+Na]+	194.11515	148.2
[M+NH4]+	189.15975	146.4
[M+K]+	210.08909	144.2
[M-H]-	170.11865	138.7
[M+Na-2H]-	192.10060	142.8
[M]+	171.12538	140.1
[M]-	171.12648	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe