CID 75843

2644-21-5

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCN(CC)CC(=O)OCC

InChI

InChI=1S/C8H17NO2/c1-4-9(5-2)7-8(10)11-6-3/h4-7H2,1-3H3

InChIKey

ORRQJZMYQQDYDX-UHFFFAOYSA-N

Compound name

ethyl 2-(diethylamino)acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 245
Patents: 159.12593 Da
Monoisotopic Mass: 1.3
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]+	160.133206	137.2
[M+Na]+	182.115148	143.1
[M-H]-	158.118654	138.7
[M+NH4]+	177.159753	158.6
[M+K]+	198.089088	144.5
[M+H-H2O]+	142.123190	131.8
[M+HCOO]-	204.124131	161.6
[M+CH3COO]-	218.139781	184.8
[M+Na-2H]-	180.100596	141.5
[M]+	159.12538142	141.2
[M]-	159.12647858	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe