CID 19965476

2-methyl-2-(piperidin-4-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)(C1CCNCC1)C(=O)O

InChI

InChI=1S/C9H17NO2/c1-9(2,8(11)12)7-3-5-10-6-4-7/h7,10H,3-6H2,1-2H3,(H,11,12)

InChIKey

JVKWPAGLRNGSIO-UHFFFAOYSA-N

Compound name

2-methyl-2-piperidin-4-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 171.12593 Da
Monoisotopic Mass: -1.3
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]+	172.133206	140.4
[M+Na]+	194.115148	144.3
[M-H]-	170.118654	138.9
[M+NH4]+	189.159753	157.7
[M+K]+	210.089088	142.5
[M+H-H2O]+	154.123190	135.0
[M+HCOO]-	216.124131	154.4
[M+CH3COO]-	230.139781	174.1
[M+Na-2H]-	192.100596	144.2
[M]+	171.12538142	133.9
[M]-	171.12647858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe