CID 43392874

Methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

COC(=O)C1CCN(CC1)CCCO

InChI

InChI=1S/C10H19NO3/c1-14-10(13)9-3-6-11(7-4-9)5-2-8-12/h9,12H,2-8H2,1H3

InChIKey

JWESSHPBZLMQDB-UHFFFAOYSA-N

Compound name

methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.13649 Da
Monoisotopic Mass: 0.3
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]+	202.143766	147.2
[M+Na]+	224.125708	151.5
[M-H]-	200.129214	146.9
[M+NH4]+	219.170313	164.1
[M+K]+	240.099648	150.5
[M+H-H2O]+	184.133750	140.6
[M+HCOO]-	246.134691	164.1
[M+CH3COO]-	260.150341	182.0
[M+Na-2H]-	222.111156	149.4
[M]+	201.13594142	145.1
[M]-	201.13703858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe