CID 14423477

99191-71-6

Structural Information

Molecular Formula

C₁₀H₁₈Cl₂N₂O₂

SMILES

CN(CCCCCCN(C)C(=O)Cl)C(=O)Cl

InChI

InChI=1S/C10H18Cl2N2O2/c1-13(9(11)15)7-5-3-4-6-8-14(2)10(12)16/h3-8H2,1-2H3

InChIKey

VKMVQHFENMMYDS-UHFFFAOYSA-N

Compound name

N-[6-[carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.07452 Da
Monoisotopic Mass: 2.8
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]+	269.08180	159.1
[M+Na]+	291.06374	167.5
[M+NH4]+	286.10834	165.5
[M+K]+	307.03768	162.4
[M-H]-	267.06724	158.5
[M+Na-2H]-	289.04919	161.3
[M]+	268.07397	160.2
[M]-	268.07507	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe