CID 16674

Ethyl n,n-dibutylcarbamate

Structural Information

Molecular Formula

C₁₁H₂₃NO₂

SMILES

CCCCN(CCCC)C(=O)OCC

InChI

InChI=1S/C11H23NO2/c1-4-7-9-12(10-8-5-2)11(13)14-6-3/h4-10H2,1-3H3

InChIKey

DSICTTBMRSZYJL-UHFFFAOYSA-N

Compound name

ethyl N,N-dibutylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 224
Patents: 201.17288 Da
Monoisotopic Mass: 3.0
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]+	202.180156	151.5
[M+Na]+	224.162098	156.2
[M-H]-	200.165604	152.5
[M+NH4]+	219.206703	171.3
[M+K]+	240.136038	156.8
[M+H-H2O]+	184.170140	145.5
[M+HCOO]-	246.171081	174.9
[M+CH3COO]-	260.186731	193.2
[M+Na-2H]-	222.147546	154.1
[M]+	201.17233142	156.6
[M]-	201.17342858	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe