CID 28333

17144-46-6

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

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

InChI

InChI=1S/C11H14ClNO2/c1-11(13)6-14-10(15-7-11)8-2-4-9(12)5-3-8/h2-5,10H,6-7,13H2,1H3

InChIKey

BZYJWUQKCNWTLG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.0713 Da
Monoisotopic Mass: 1.3
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]+	228.07858	147.9
[M+Na]+	250.06052	161.7
[M+NH4]+	245.10512	158.6
[M+K]+	266.03446	153.3
[M-H]-	226.06402	155.4
[M+Na-2H]-	248.04597	156.3
[M]+	227.07075	152.6
[M]-	227.07185	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe