CID 19958785

167155-52-4

Structural Information

Molecular Formula

C₆H₈ClNO₂

SMILES

COCC1=CC(=NO1)CCl

InChI

InChI=1S/C6H8ClNO2/c1-9-4-6-2-5(3-7)8-10-6/h2H,3-4H2,1H3

InChIKey

VGBSQHXCJVGRDX-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 161.02435 Da
Monoisotopic Mass: 0.5
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]+	162.03163	128.8
[M+Na]+	184.01357	139.0
[M-H]-	160.01707	131.8
[M+NH4]+	179.05817	149.8
[M+K]+	199.98751	137.9
[M+H-H2O]+	144.02161	123.6
[M+HCOO]-	206.02255	148.5
[M+CH3COO]-	220.03820	174.0
[M+Na-2H]-	181.99902	135.8
[M]+	161.02380	134.3
[M]-	161.02490	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe