CID 122164552

3,3-diethoxy-n-ethylpropanamide

Structural Information

Molecular Formula

C₉H₁₉NO₃

SMILES

CCNC(=O)CC(OCC)OCC

InChI

InChI=1S/C9H19NO3/c1-4-10-8(11)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3,(H,10,11)

InChIKey

XNOOHUXKBFIFJP-UHFFFAOYSA-N

Compound name

3,3-diethoxy-N-ethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.13649 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]+	190.143766	145.3
[M+Na]+	212.125708	150.2
[M-H]-	188.129214	145.1
[M+NH4]+	207.170313	164.7
[M+K]+	228.099648	150.9
[M+H-H2O]+	172.133750	139.6
[M+HCOO]-	234.134691	168.1
[M+CH3COO]-	248.150341	187.1
[M+Na-2H]-	210.111156	148.4
[M]+	189.13594142	149.2
[M]-	189.13703858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe