CID 215187

Alpha-(butoxymethyl)-4-morpholineethanol

Structural Information

Molecular Formula

C₁₁H₂₃NO₃

SMILES

CCCCOCC(CN1CCOCC1)O

InChI

InChI=1S/C11H23NO3/c1-2-3-6-15-10-11(13)9-12-4-7-14-8-5-12/h11,13H,2-10H2,1H3

InChIKey

KDNJAMXCFAXZLG-UHFFFAOYSA-N

Compound name

1-butoxy-3-morpholin-4-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	153.5
[M+Na]+	240.15702	156.2
[M-H]-	216.16052	153.3
[M+NH4]+	235.20162	168.2
[M+K]+	256.13096	156.4
[M+H-H2O]+	200.16506	146.2
[M+HCOO]-	262.16600	169.0
[M+CH3COO]-	276.18165	185.3
[M+Na-2H]-	238.14247	156.8
[M]+	217.16725	152.8
[M]-	217.16835	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe