CID 218057

40066-89-5

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

CC(=O)OCCN(C)CCO

InChI

InChI=1S/C7H15NO3/c1-7(10)11-6-4-8(2)3-5-9/h9H,3-6H2,1-2H3

InChIKey

REHZYESPJYNTEZ-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(methyl)amino]ethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 161.1052 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]+	162.11248	135.6
[M+Na]+	184.09442	143.6
[M+NH4]+	179.13902	142.0
[M+K]+	200.06836	139.9
[M-H]-	160.09792	134.1
[M+Na-2H]-	182.07987	137.8
[M]+	161.10465	135.8
[M]-	161.10575	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe