CID 162819

Te 237

Structural Information

Molecular Formula

C₁₃H₁₉Cl₂NO₂

SMILES

CC(C)NCCC(COC1=C(C(=CC=C1)Cl)Cl)O

InChI

InChI=1S/C13H19Cl2NO2/c1-9(2)16-7-6-10(17)8-18-12-5-3-4-11(14)13(12)15/h3-5,9-10,16-17H,6-8H2,1-2H3

InChIKey

SUYVGIJUAPYMRD-UHFFFAOYSA-N

Compound name

1-(2,3-dichlorophenoxy)-4-(propan-2-ylamino)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 291.07928 Da
Monoisotopic Mass: 3.3
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]+	292.086556	163.9
[M+Na]+	314.068498	170.8
[M-H]-	290.072004	165.4
[M+NH4]+	309.113103	180.2
[M+K]+	330.042438	165.5
[M+H-H2O]+	274.076540	159.6
[M+HCOO]-	336.077481	175.7
[M+CH3COO]-	350.093131	201.9
[M+Na-2H]-	312.053946	164.8
[M]+	291.07873142	168.3
[M]-	291.07982858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe