CID 16778057

926246-53-9

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CCC(=O)N1CCCC(C1)C(=O)O

InChI

InChI=1S/C9H15NO3/c1-2-8(11)10-5-3-4-7(6-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)

InChIKey

OHZLEWCRNCMLGD-UHFFFAOYSA-N

Compound name

1-propanoylpiperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 185.1052 Da
Monoisotopic Mass: 0.2
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	141.7
[M+Na]+	208.09442	150.5
[M+NH4]+	203.13902	148.1
[M+K]+	224.06836	146.8
[M-H]-	184.09792	140.8
[M+Na-2H]-	206.07987	144.1
[M]+	185.10465	142.2
[M]-	185.10575	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe