CID 83669924

4,4-dimethylpiperidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC1(CCNCC1C(=O)O)C

InChI

InChI=1S/C8H15NO2/c1-8(2)3-4-9-5-6(8)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)

InChIKey

CUBYRZGUSVVPJA-UHFFFAOYSA-N

Compound name

4,4-dimethylpiperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 157.11028 Da
Monoisotopic Mass: -1.6
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	135.4
[M+Na]+	180.099498	141.1
[M-H]-	156.103004	134.5
[M+NH4]+	175.144103	155.5
[M+K]+	196.073438	139.5
[M+H-H2O]+	140.107540	130.6
[M+HCOO]-	202.108481	151.2
[M+CH3COO]-	216.124131	171.5
[M+Na-2H]-	178.084946	139.4
[M]+	157.10973142	129.6
[M]-	157.11082858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe