CID 201098

Brn 1533198

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂

SMILES

CN1CCCC1=NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C11H12Cl2N2/c1-15-6-2-3-11(15)14-8-4-5-9(12)10(13)7-8/h4-5,7H,2-3,6H2,1H3

InChIKey

BHRDUCJKHBLNFF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 242.03775 Da
Monoisotopic Mass: 2.9
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]+	243.045026	154.2
[M+Na]+	265.026968	163.8
[M-H]-	241.030474	160.0
[M+NH4]+	260.071573	174.0
[M+K]+	281.000908	157.9
[M+H-H2O]+	225.035010	147.5
[M+HCOO]-	287.035951	168.8
[M+CH3COO]-	301.051601	193.9
[M+Na-2H]-	263.012416	156.2
[M]+	242.03720142	155.0
[M]-	242.03829858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe