CID 44364524

90088-17-8

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

C1CC(NC(=O)C1)CCC(=O)O

InChI

InChI=1S/C8H13NO3/c10-7-3-1-2-6(9-7)4-5-8(11)12/h6H,1-5H2,(H,9,10)(H,11,12)

InChIKey

YHPLMTKMOITUNX-UHFFFAOYSA-N

Compound name

3-(6-oxopiperidin-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 171.08954 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]+	172.09682	137.8
[M+Na]+	194.07876	146.6
[M+NH4]+	189.12336	144.1
[M+K]+	210.05270	142.5
[M-H]-	170.08226	136.6
[M+Na-2H]-	192.06421	140.2
[M]+	171.08899	138.2
[M]-	171.09009	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe