CID 49761012

1211510-61-0

Structural Information

Molecular Formula

C₉H₁₅NO₄

SMILES

COC(=O)C1CC(CNC1)C(=O)OC

InChI

InChI=1S/C9H15NO4/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3

InChIKey

FOEXRJBHOCBGFH-UHFFFAOYSA-N

Compound name

dimethyl piperidine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 201.10011 Da
Monoisotopic Mass: -0.4
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	143.9
[M+Na]+	224.08933	148.8
[M-H]-	200.09283	144.0
[M+NH4]+	219.13393	160.8
[M+K]+	240.06327	148.4
[M+H-H2O]+	184.09737	137.6
[M+HCOO]-	246.09831	160.6
[M+CH3COO]-	260.11396	180.5
[M+Na-2H]-	222.07478	145.6
[M]+	201.09956	141.5
[M]-	201.10066	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe