CID 24696023

1-propioloylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

C#CC(=O)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C9H11NO3/c1-2-8(11)10-5-3-7(4-6-10)9(12)13/h1,7H,3-6H2,(H,12,13)

InChIKey

FPOSRSONOAPPCB-UHFFFAOYSA-N

Compound name

1-prop-2-ynoylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 181.0739 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]+	182.08118	140.3
[M+Na]+	204.06312	149.3
[M+NH4]+	199.10772	143.1
[M+K]+	220.03706	142.5
[M-H]-	180.06662	131.5
[M+Na-2H]-	202.04857	140.1
[M]+	181.07335	137.8
[M]-	181.07445	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe