CID 2788445

2-(4-chloro-3-methylphenoxy)-n-(oxolan-2-ylmethyl)acetamide

Structural Information

Molecular Formula

C₁₄H₁₈ClNO₃

SMILES

CC1=C(C=CC(=C1)OCC(=O)NCC2CCCO2)Cl

InChI

InChI=1S/C14H18ClNO3/c1-10-7-11(4-5-13(10)15)19-9-14(17)16-8-12-3-2-6-18-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,17)

InChIKey

QALBBHUYKQCQRB-UHFFFAOYSA-N

Compound name

2-(4-chloro-3-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 283.09753 Da
Monoisotopic Mass: 2.6
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	165.8
[M+Na]+	306.086748	172.0
[M-H]-	282.090254	172.7
[M+NH4]+	301.131353	182.6
[M+K]+	322.060688	169.1
[M+H-H2O]+	266.094790	159.5
[M+HCOO]-	328.095731	183.4
[M+CH3COO]-	342.111381	199.0
[M+Na-2H]-	304.072196	167.5
[M]+	283.09698142	168.5
[M]-	283.09807858	168.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.