CID 211840

23598-93-8

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₃

SMILES

CC1=C(C=C(C=C1)N2CC(OC2=O)COCC#C)Cl

InChI

InChI=1S/C14H14ClNO3/c1-3-6-18-9-12-8-16(14(17)19-12)11-5-4-10(2)13(15)7-11/h1,4-5,7,12H,6,8-9H2,2H3

InChIKey

VZNGWWPNGJWTDQ-UHFFFAOYSA-N

Compound name

3-(3-chloro-4-methylphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.06622 Da
Monoisotopic Mass: 2.5
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]+	280.073496	157.5
[M+Na]+	302.055438	169.4
[M-H]-	278.058944	161.2
[M+NH4]+	297.100043	171.9
[M+K]+	318.029378	163.6
[M+H-H2O]+	262.063480	144.7
[M+HCOO]-	324.064421	168.6
[M+CH3COO]-	338.080071	203.7
[M+Na-2H]-	300.040886	158.2
[M]+	279.06567142	156.0
[M]-	279.06676858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.