CID 9855751

131417-49-7

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(=O)N1CCC(CC1)CCC(=O)O

InChI

InChI=1S/C10H17NO3/c1-8(12)11-6-4-9(5-7-11)2-3-10(13)14/h9H,2-7H2,1H3,(H,13,14)

InChIKey

CBWPIRBWBJQAPM-UHFFFAOYSA-N

Compound name

3-(1-acetylpiperidin-4-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 199.12085 Da
Monoisotopic Mass: 0.3
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]+	200.12813	146.1
[M+Na]+	222.11007	154.7
[M+NH4]+	217.15467	152.3
[M+K]+	238.08401	150.7
[M-H]-	198.11357	145.1
[M+Na-2H]-	220.09552	148.2
[M]+	199.12030	146.5
[M]-	199.12140	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe