CID 56829888

1220178-01-7

Structural Information

Molecular Formula

C₁₂H₂₅NO₃

SMILES

COCCOCCOCCC1CCNCC1

InChI

InChI=1S/C12H25NO3/c1-14-8-9-16-11-10-15-7-4-12-2-5-13-6-3-12/h12-13H,2-11H2,1H3

InChIKey

ANKCOHZEHZJMHB-UHFFFAOYSA-N

Compound name

4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 231.18344 Da
Monoisotopic Mass: 0.5
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]+	232.190716	157.0
[M+Na]+	254.172658	159.3
[M-H]-	230.176164	155.7
[M+NH4]+	249.217263	172.4
[M+K]+	270.146598	157.9
[M+H-H2O]+	214.180700	149.3
[M+HCOO]-	276.181641	173.9
[M+CH3COO]-	290.197291	187.5
[M+Na-2H]-	252.158106	160.0
[M]+	231.18289142	156.6
[M]-	231.18398858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe