CID 19361808

225240-67-5

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CC(=O)N1CCC(CC1)(C)C(=O)O

InChI

InChI=1S/C9H15NO3/c1-7(11)10-5-3-9(2,4-6-10)8(12)13/h3-6H2,1-2H3,(H,12,13)

InChIKey

MPKUPQDAEPKIHZ-UHFFFAOYSA-N

Compound name

1-acetyl-4-methylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 185.1052 Da
Monoisotopic Mass: 0.1
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]+	186.11248	141.9
[M+Na]+	208.09442	150.8
[M+NH4]+	203.13902	149.7
[M+K]+	224.06836	145.4
[M-H]-	184.09792	140.9
[M+Na-2H]-	206.07987	145.9
[M]+	185.10465	142.6
[M]-	185.10575	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe