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: 105
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	145.7
[M+Na]+	222.11007	150.1
[M-H]-	198.11357	145.6
[M+NH4]+	217.15467	162.6
[M+K]+	238.08401	149.0
[M+H-H2O]+	182.11811	139.3
[M+HCOO]-	244.11905	161.8
[M+CH3COO]-	258.13470	182.0
[M+Na-2H]-	220.09552	146.8
[M]+	199.12030	142.3
[M]-	199.12140	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe