CID 479964

Chembl8908

Structural Information

Molecular Formula

C₁₁H₂₃NO₃

SMILES

CN1CCCC1COCCOCCOC

InChI

InChI=1S/C11H23NO3/c1-12-5-3-4-11(12)10-15-9-8-14-7-6-13-2/h11H,3-10H2,1-2H3

InChIKey

XGNZBAALEWHAJV-UHFFFAOYSA-N

Compound name

2-[2-(2-methoxyethoxy)ethoxymethyl]-1-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 217.1678 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]+	218.17508	152.1
[M+Na]+	240.15702	157.2
[M-H]-	216.16052	153.2
[M+NH4]+	235.20162	171.1
[M+K]+	256.13096	156.9
[M+H-H2O]+	200.16506	145.1
[M+HCOO]-	262.16600	173.1
[M+CH3COO]-	276.18165	188.0
[M+Na-2H]-	238.14247	154.2
[M]+	217.16725	155.8
[M]-	217.16835	155.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.