CID 66887915

2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC(C)(C1CCCN(C1)C)C(=O)O

InChI

InChI=1S/C10H19NO2/c1-10(2,9(12)13)8-5-4-6-11(3)7-8/h8H,4-7H2,1-3H3,(H,12,13)

InChIKey

BCFRGOUORUEDAJ-UHFFFAOYSA-N

Compound name

2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 185.14159 Da
Monoisotopic Mass: -0.8
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]+	186.148866	143.5
[M+Na]+	208.130808	148.3
[M-H]-	184.134314	143.6
[M+NH4]+	203.175413	161.3
[M+K]+	224.104748	147.2
[M+H-H2O]+	168.138850	137.9
[M+HCOO]-	230.139791	158.6
[M+CH3COO]-	244.155441	180.9
[M+Na-2H]-	206.116256	146.6
[M]+	185.14104142	139.6
[M]-	185.14213858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe