CID 53191

Acetamide, 2-chloro-n-(2-hydroxyethyl)-n-((5-methyl-2-furanyl)methyl)-

Structural Information

Molecular Formula

C₁₀H₁₄ClNO₃

SMILES

CC1=CC=C(O1)CN(CCO)C(=O)CCl

InChI

InChI=1S/C10H14ClNO3/c1-8-2-3-9(15-8)7-12(4-5-13)10(14)6-11/h2-3,13H,4-7H2,1H3

InChIKey

WPXIBTKEGYOWLY-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-hydroxyethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.06622 Da
Monoisotopic Mass: 0.7
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]+	232.073496	151.9
[M+Na]+	254.055438	159.3
[M-H]-	230.058944	156.1
[M+NH4]+	249.100043	170.9
[M+K]+	270.029378	157.8
[M+H-H2O]+	214.063480	146.7
[M+HCOO]-	276.064421	171.1
[M+CH3COO]-	290.080071	190.4
[M+Na-2H]-	252.040886	154.7
[M]+	231.06567142	157.2
[M]-	231.06676858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.