CID 129175203

321371-33-9

Structural Information

Molecular Formula

C₆H₈ClNO₃

SMILES

COC(=O)C1COC(=N1)CCl

InChI

InChI=1S/C6H8ClNO3/c1-10-6(9)4-3-11-5(2-7)8-4/h4H,2-3H2,1H3

InChIKey

DHPURWFSZKRPEP-UHFFFAOYSA-N

Compound name

methyl 2-(chloromethyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 177.01927 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]+	178.02655	132.7
[M+Na]+	200.00849	141.9
[M-H]-	176.01199	135.7
[M+NH4]+	195.05309	152.9
[M+K]+	215.98243	141.4
[M+H-H2O]+	160.01653	127.7
[M+HCOO]-	222.01747	150.5
[M+CH3COO]-	236.03312	175.7
[M+Na-2H]-	197.99394	137.7
[M]+	177.01872	136.9
[M]-	177.01982	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe