CID 3062566

98429-88-0

Structural Information

Molecular Formula

C₇H₁₅Cl₂N

SMILES

CCN(CC)CC(CCl)Cl

InChI

InChI=1S/C7H15Cl2N/c1-3-10(4-2)6-7(9)5-8/h7H,3-6H2,1-2H3

InChIKey

BQZXPLBYBBIDOL-UHFFFAOYSA-N

Compound name

2,3-dichloro-N,N-diethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 183.05815 Da
Monoisotopic Mass: 2.2
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]+	184.06543	139.8
[M+Na]+	206.04737	146.8
[M-H]-	182.05087	140.6
[M+NH4]+	201.09197	161.4
[M+K]+	222.02131	144.1
[M+H-H2O]+	166.05541	136.5
[M+HCOO]-	228.05635	154.2
[M+CH3COO]-	242.07200	188.1
[M+Na-2H]-	204.03282	143.3
[M]+	183.05760	143.9
[M]-	183.05870	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe