CID 86740

Einecs 242-333-6

Structural Information

Molecular Formula

C₁₇H₃₇NO₃

SMILES

CCCCCCCCCCCCOCC(CNCCO)O

InChI

InChI=1S/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-16-17(20)15-18-12-13-19/h17-20H,2-16H2,1H3

InChIKey

FUVVCZPEOKAHJS-UHFFFAOYSA-N

Compound name

1-dodecoxy-3-(2-hydroxyethylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 117
Patents: 303.27734 Da
Monoisotopic Mass: 3.9
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]+	304.284616	182.2
[M+Na]+	326.266558	182.7
[M-H]-	302.270064	177.4
[M+NH4]+	321.311163	195.5
[M+K]+	342.240498	179.7
[M+H-H2O]+	286.274600	175.0
[M+HCOO]-	348.275541	200.0
[M+CH3COO]-	362.291191	206.6
[M+Na-2H]-	324.252006	181.4
[M]+	303.27679142	186.6
[M]-	303.27788858	186.6

Literature stripe

literature stripe

Patent stripe

patents stripe