CID 16427154

934236-35-8

Structural Information

Molecular Formula

C₅H₄ClNO₃

SMILES

COC(=O)C1=COC(=N1)Cl

InChI

InChI=1S/C5H4ClNO3/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3

InChIKey

GMAOHBOUJBPEKY-UHFFFAOYSA-N

Compound name

methyl 2-chloro-1,3-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 160.98798 Da
Monoisotopic Mass: 1.5
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]+	161.99526	125.9
[M+Na]+	183.97720	136.6
[M-H]-	159.98070	129.4
[M+NH4]+	179.02180	146.8
[M+K]+	199.95114	136.1
[M+H-H2O]+	143.98524	121.0
[M+HCOO]-	205.98618	145.5
[M+CH3COO]-	220.00183	172.3
[M+Na-2H]-	181.96265	132.4
[M]+	160.98743	131.2
[M]-	160.98853	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe