CID 65453517

1483916-19-3

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

C1CCN(C(=O)C1)C2(CC2)C(=O)O

InChI

InChI=1S/C9H13NO3/c11-7-3-1-2-6-10(7)9(4-5-9)8(12)13/h1-6H2,(H,12,13)

InChIKey

PANLMDLLJRXKOI-UHFFFAOYSA-N

Compound name

1-(2-oxopiperidin-1-yl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.08954 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]+	184.096816	143.1
[M+Na]+	206.078758	150.9
[M-H]-	182.082264	147.6
[M+NH4]+	201.123363	157.7
[M+K]+	222.052698	149.0
[M+H-H2O]+	166.086800	137.3
[M+HCOO]-	228.087741	160.6
[M+CH3COO]-	242.103391	180.4
[M+Na-2H]-	204.064206	147.2
[M]+	183.08899142	141.8
[M]-	183.09008858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.