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]+	228.078576	149.7
[M+Na]+	250.060518	157.4
[M-H]-	226.064024	157.1
[M+NH4]+	245.105123	167.5
[M+K]+	266.034458	155.9
[M+H-H2O]+	210.068560	144.1
[M+HCOO]-	272.069501	165.1
[M+CH3COO]-	286.085151	188.1
[M+Na-2H]-	248.045966	156.4
[M]+	227.07075142	149.1
[M]-	227.07184858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe