CID 1490569

197585-42-5

Structural Information

Molecular Formula

C₈H₁₃NO₄

SMILES

COC(=O)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C8H13NO4/c1-13-8(12)9-4-2-6(3-5-9)7(10)11/h6H,2-5H2,1H3,(H,10,11)

InChIKey

FDQGMCHKKYRKCB-UHFFFAOYSA-N

Compound name

1-methoxycarbonylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 66
Patents: 187.08446 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]+	188.09174	140.3
[M+Na]+	210.07368	148.8
[M+NH4]+	205.11828	146.2
[M+K]+	226.04762	145.8
[M-H]-	186.07718	138.8
[M+Na-2H]-	208.05913	142.4
[M]+	187.08391	140.5
[M]-	187.08501	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe