CID 216768

37673-66-8

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CCOC(=O)C1CN(CCC1O)C

InChI

InChI=1S/C9H17NO3/c1-3-13-9(12)7-6-10(2)5-4-8(7)11/h7-8,11H,3-6H2,1-2H3

InChIKey

QMOQPVUFPHQBEA-UHFFFAOYSA-N

Compound name

ethyl 4-hydroxy-1-methylpiperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.12085 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]+	188.12813	142.0
[M+Na]+	210.11007	147.8
[M-H]-	186.11357	142.4
[M+NH4]+	205.15467	160.0
[M+K]+	226.08401	147.1
[M+H-H2O]+	170.11811	136.0
[M+HCOO]-	232.11905	159.3
[M+CH3COO]-	246.13470	180.2
[M+Na-2H]-	208.09552	144.2
[M]+	187.12030	140.0
[M]-	187.12140	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe