CID 170749

Ethanol, 2-[[2-(acetyloxy)ethyl]amino]-

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(=O)OCCNCCO

InChI

InChI=1S/C6H13NO3/c1-6(9)10-5-3-7-2-4-8/h7-8H,2-5H2,1H3

InChIKey

RMOPCJOZHHOQFT-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethylamino)ethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 147.08954 Da
Monoisotopic Mass: -1.0
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]+	148.096816	131.5
[M+Na]+	170.078758	137.4
[M-H]-	146.082264	130.3
[M+NH4]+	165.123363	151.8
[M+K]+	186.052698	137.5
[M+H-H2O]+	130.086800	126.4
[M+HCOO]-	192.087741	154.7
[M+CH3COO]-	206.103391	174.6
[M+Na-2H]-	168.064206	136.9
[M]+	147.08899142	132.9
[M]-	147.09008858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe