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: 5
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]+	242.070906	152.3
[M+Na]+	264.052848	158.7
[M-H]-	240.056354	153.3
[M+NH4]+	259.097453	171.7
[M+K]+	280.026788	156.7
[M+H-H2O]+	224.060890	148.9
[M+HCOO]-	286.061831	165.2
[M+CH3COO]-	300.077481	197.1
[M+Na-2H]-	262.038296	152.6
[M]+	241.06308142	158.3
[M]-	241.06417858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe