CID 1381961

299165-92-7

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂

SMILES

CC1=C(C2=C(N1)C=C(C=C2Cl)Cl)CCN

InChI

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

InChIKey

JCTJISIFGZHOFY-UHFFFAOYSA-N

Compound name

2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 311
Patents: 242.03775 Da
Monoisotopic Mass: 3.0
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]+	243.04503	151.9
[M+Na]+	265.02697	164.4
[M-H]-	241.03047	153.5
[M+NH4]+	260.07157	172.1
[M+K]+	281.00091	156.5
[M+H-H2O]+	225.03501	147.4
[M+HCOO]-	287.03595	165.5
[M+CH3COO]-	301.05160	164.6
[M+Na-2H]-	263.01242	155.1
[M]+	242.03720	154.9
[M]-	242.03830	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe