CID 62348544

2-[(3,5-dichloropyridin-2-yl)oxy]ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₇H₈Cl₂N₂O

SMILES

C1=C(C=NC(=C1Cl)OCCN)Cl

InChI

InChI=1S/C7H8Cl2N2O/c8-5-3-6(9)7(11-4-5)12-2-1-10/h3-4H,1-2,10H2

InChIKey

ZYYJUJGQHIDEOM-UHFFFAOYSA-N

Compound name

2-(3,5-dichloropyridin-2-yl)oxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 206.00137 Da
Monoisotopic Mass: 1.5
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]+	207.00865	138.2
[M+Na]+	228.99059	148.5
[M-H]-	204.99409	139.6
[M+NH4]+	224.03519	157.0
[M+K]+	244.96453	143.7
[M+H-H2O]+	188.99863	133.3
[M+HCOO]-	250.99957	152.9
[M+CH3COO]-	265.01522	184.9
[M+Na-2H]-	226.97604	144.0
[M]+	206.00082	141.1
[M]-	206.00192	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe