CID 43392874

Akos009032889

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]+	202.14377	147.0
[M+Na]+	224.12571	155.9
[M+NH4]+	219.17031	153.6
[M+K]+	240.09965	151.2
[M-H]-	200.12921	146.5
[M+Na-2H]-	222.11116	149.6
[M]+	201.13594	147.7
[M]-	201.13704	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe