CID 114568

13791-92-9

Structural Information

Molecular Formula

C₁₂H₁₆ClNO₂

SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N(C)C

InChI

InChI=1S/C12H16ClNO2/c1-8-7-10(13)5-6-11(8)16-9(2)12(15)14(3)4/h5-7,9H,1-4H3

InChIKey

OKCMWDCQCIAGAQ-UHFFFAOYSA-N

Compound name

2-(4-chloro-2-methylphenoxy)-N,N-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.08696 Da
Monoisotopic Mass: 3.1
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]+	242.094236	152.0
[M+Na]+	264.076178	160.0
[M-H]-	240.079684	157.3
[M+NH4]+	259.120783	171.3
[M+K]+	280.050118	158.1
[M+H-H2O]+	224.084220	146.7
[M+HCOO]-	286.085161	171.4
[M+CH3COO]-	300.100811	199.0
[M+Na-2H]-	262.061626	154.0
[M]+	241.08641142	157.3
[M]-	241.08750858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.