CID 83371

Dibutylcarbamoyl chloride

Structural Information

Molecular Formula

C₉H₁₈ClNO

SMILES

CCCCN(CCCC)C(=O)Cl

InChI

InChI=1S/C9H18ClNO/c1-3-5-7-11(9(10)12)8-6-4-2/h3-8H2,1-2H3

InChIKey

OSWBZCCZJXCOGL-UHFFFAOYSA-N

Compound name

N,N-dibutylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 263
Patents: 191.1077 Da
Monoisotopic Mass: 3.3
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]+	192.11498	145.0
[M+Na]+	214.09692	151.2
[M-H]-	190.10042	146.2
[M+NH4]+	209.14152	166.0
[M+K]+	230.07086	149.6
[M+H-H2O]+	174.10496	140.4
[M+HCOO]-	236.10590	164.3
[M+CH3COO]-	250.12155	189.7
[M+Na-2H]-	212.08237	148.2
[M]+	191.10715	149.7
[M]-	191.10825	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe