CID 59347

102411-02-9

Structural Information

Molecular Formula

C₁₂H₁₆ClNO₂

SMILES

COCCCN(C1=CC=CC=C1)C(=O)CCl

InChI

InChI=1S/C12H16ClNO2/c1-16-9-5-8-14(12(15)10-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3

InChIKey

RXSZLDMYFUBDCC-UHFFFAOYSA-N

Compound name

2-chloro-N-(3-methoxypropyl)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 241.08696 Da
Monoisotopic Mass: 2.1
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]+	242.09424	153.9
[M+Na]+	264.07618	160.1
[M-H]-	240.07968	158.2
[M+NH4]+	259.12078	172.5
[M+K]+	280.05012	157.6
[M+H-H2O]+	224.08422	147.7
[M+HCOO]-	286.08516	174.1
[M+CH3COO]-	300.10081	195.8
[M+Na-2H]-	262.06163	158.3
[M]+	241.08641	158.9
[M]-	241.08751	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe