CID 65813971

2361643-41-4

Structural Information

Molecular Formula

C₉H₁₅NO₄

SMILES

COC(=O)C1(CCNCC1)C(=O)OC

InChI

InChI=1S/C9H15NO4/c1-13-7(11)9(8(12)14-2)3-5-10-6-4-9/h10H,3-6H2,1-2H3

InChIKey

HTFKGBZWPKAKEX-UHFFFAOYSA-N

Compound name

dimethyl piperidine-4,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 201.10011 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]+	202.10739	145.5
[M+Na]+	224.08933	153.5
[M+NH4]+	219.13393	152.7
[M+K]+	240.06327	148.4
[M-H]-	200.09283	143.9
[M+Na-2H]-	222.07478	149.2
[M]+	201.09956	145.8
[M]-	201.10066	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe