CID 21754

Carbamic acid, bis(2-chloropropyl)-, ethyl ester

Structural Information

Molecular Formula

C₉H₁₇Cl₂NO₂

SMILES

CCOC(=O)N(CC(C)Cl)CC(C)Cl

InChI

InChI=1S/C9H17Cl2NO2/c1-4-14-9(13)12(5-7(2)10)6-8(3)11/h7-8H,4-6H2,1-3H3

InChIKey

AMZPPCYQXDTKCJ-UHFFFAOYSA-N

Compound name

ethyl N,N-bis(2-chloropropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.06363 Da
Monoisotopic Mass: 2.5
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]+	242.07091	152.3
[M+Na]+	264.05285	158.7
[M-H]-	240.05635	153.3
[M+NH4]+	259.09745	171.7
[M+K]+	280.02679	156.7
[M+H-H2O]+	224.06089	148.9
[M+HCOO]-	286.06183	165.2
[M+CH3COO]-	300.07748	197.1
[M+Na-2H]-	262.03830	152.6
[M]+	241.06308	158.3
[M]-	241.06418	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe