CID 19083

Ethyl diethylcarbamate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCN(CC)C(=O)OCC

InChI

InChI=1S/C7H15NO2/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3

InChIKey

VAJCYQHLYBTSHG-UHFFFAOYSA-N

Compound name

ethyl N,N-diethylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 667
Patents: 145.11028 Da
Monoisotopic Mass: 1.9
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]+	146.117556	132.7
[M+Na]+	168.099498	139.1
[M-H]-	144.103004	134.5
[M+NH4]+	163.144103	154.8
[M+K]+	184.073438	140.8
[M+H-H2O]+	128.107540	127.5
[M+HCOO]-	190.108481	157.5
[M+CH3COO]-	204.124131	181.1
[M+Na-2H]-	166.084946	137.5
[M]+	145.10973142	136.2
[M]-	145.11082858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe