CID 17156247

(3,4-dichloro-benzyl)-isopropyl-amine

Structural Information

Molecular Formula

C₁₀H₁₃Cl₂N

SMILES

CC(C)NCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H13Cl2N/c1-7(2)13-6-8-3-4-9(11)10(12)5-8/h3-5,7,13H,6H2,1-2H3

InChIKey

GOHUXVZHCOOEAK-UHFFFAOYSA-N

Compound name

N-[(3,4-dichlorophenyl)methyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 217.04251 Da
Monoisotopic Mass: 3.8
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]+	218.04979	145.1
[M+Na]+	240.03173	154.0
[M-H]-	216.03523	148.1
[M+NH4]+	235.07633	165.1
[M+K]+	256.00567	148.7
[M+H-H2O]+	200.03977	141.1
[M+HCOO]-	262.04071	159.6
[M+CH3COO]-	276.05636	190.8
[M+Na-2H]-	238.01718	149.1
[M]+	217.04196	147.8
[M]-	217.04306	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe