CID 22032764

661459-01-4

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1CCC(NC1)C(=O)O

InChI

InChI=1S/C7H13NO2/c1-5-2-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)

InChIKey

JYWQLXDCNQQXGO-UHFFFAOYSA-N

Compound name

5-methylpiperidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 143.09464 Da
Monoisotopic Mass: -1.6
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]+	144.101916	131.4
[M+Na]+	166.083858	136.7
[M-H]-	142.087364	130.3
[M+NH4]+	161.128463	150.0
[M+K]+	182.057798	134.9
[M+H-H2O]+	126.091900	125.9
[M+HCOO]-	188.092841	147.6
[M+CH3COO]-	202.108491	168.9
[M+Na-2H]-	164.069306	134.7
[M]+	143.09409142	124.9
[M]-	143.09518858	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe