CID 63123116

4-methyl-1-(prop-2-ynoyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CC1(CCN(CC1)C(=O)C#C)C(=O)O

InChI

InChI=1S/C10H13NO3/c1-3-8(12)11-6-4-10(2,5-7-11)9(13)14/h1H,4-7H2,2H3,(H,13,14)

InChIKey

ZVKURWMFGTXVRH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.08954 Da
Monoisotopic Mass: 0.6
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]+	196.096816	142.2
[M+Na]+	218.078758	150.6
[M-H]-	194.082264	141.7
[M+NH4]+	213.123363	159.2
[M+K]+	234.052698	147.3
[M+H-H2O]+	178.086800	131.2
[M+HCOO]-	240.087741	153.5
[M+CH3COO]-	254.103391	188.2
[M+Na-2H]-	216.064206	144.2
[M]+	195.08899142	133.6
[M]-	195.09008858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.