CID 213763

Brn 1533966

Structural Information

Molecular Formula

C₁₂H₁₄Cl₂N₂

SMILES

CCN1CCCC1=NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H14Cl2N2/c1-2-16-7-3-4-12(16)15-9-5-6-10(13)11(14)8-9/h5-6,8H,2-4,7H2,1H3

InChIKey

OWZYFMJJNWQHHW-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)-1-ethylpyrrolidin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.0534 Da
Monoisotopic Mass: 3.2
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]+	257.06068	158.8
[M+Na]+	279.04262	167.9
[M-H]-	255.04612	164.4
[M+NH4]+	274.08722	178.1
[M+K]+	295.01656	161.9
[M+H-H2O]+	239.05066	151.9
[M+HCOO]-	301.05160	173.1
[M+CH3COO]-	315.06725	196.8
[M+Na-2H]-	277.02807	160.3
[M]+	256.05285	160.0
[M]-	256.05395	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe