CID 21698190

71495-01-7

Structural Information

Molecular Formula

C₆H₈ClNO₂

SMILES

COCC1=NOC(=C1)CCl

InChI

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

InChIKey

SGGYGPPIFVYPHA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
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]+	162.031626	128.8
[M+Na]+	184.013568	139.0
[M-H]-	160.017074	131.8
[M+NH4]+	179.058173	149.8
[M+K]+	199.987508	137.9
[M+H-H2O]+	144.021610	123.6
[M+HCOO]-	206.022551	148.5
[M+CH3COO]-	220.038201	174.0
[M+Na-2H]-	181.999016	135.8
[M]+	161.02380142	134.3
[M]-	161.02489858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe