CID 41036

54237-74-0

Structural Information

Molecular Formula

C₁₄H₁₈ClNO₃

SMILES

CC1=C(C(=CC=C1)C)N(C2COCCO2)C(=O)CCl

InChI

InChI=1S/C14H18ClNO3/c1-10-4-3-5-11(2)14(10)16(12(17)8-15)13-9-18-6-7-19-13/h3-5,13H,6-9H2,1-2H3

InChIKey

YIBYBPKHKCGEBO-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,6-dimethylphenyl)-N-(1,4-dioxan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.09753 Da
Monoisotopic Mass: 2.3
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]+	284.104806	166.3
[M+Na]+	306.086748	172.0
[M-H]-	282.090254	175.0
[M+NH4]+	301.131353	180.5
[M+K]+	322.060688	171.6
[M+H-H2O]+	266.094790	159.3
[M+HCOO]-	328.095731	181.3
[M+CH3COO]-	342.111381	203.2
[M+Na-2H]-	304.072196	169.4
[M]+	283.09698142	168.8
[M]-	283.09807858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.