CID 28364

17164-65-7

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO₂

SMILES

CC1(COC(OC1)C2=CC(=C(C=C2)Cl)Cl)N

InChI

InChI=1S/C11H13Cl2NO2/c1-11(14)5-15-10(16-6-11)7-2-3-8(12)9(13)4-7/h2-4,10H,5-6,14H2,1H3

InChIKey

RYRMQVSKHWRIGN-UHFFFAOYSA-N

Compound name

2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.03235 Da
Monoisotopic Mass: 1.9
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]+	262.039626	155.9
[M+Na]+	284.021568	164.7
[M-H]-	260.025074	162.8
[M+NH4]+	279.066173	172.9
[M+K]+	299.995508	161.9
[M+H-H2O]+	244.029610	151.2
[M+HCOO]-	306.030551	166.2
[M+CH3COO]-	320.046201	168.0
[M+Na-2H]-	282.007016	161.0
[M]+	261.03180142	156.8
[M]-	261.03289858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.