CID 10333172

149286-19-1

Structural Information

Molecular Formula

SMILES

CCOC(=O)C1=NOC(=C1)I

InChI

InChI=1S/C6H6INO3/c1-2-10-6(9)4-3-5(7)11-8-4/h3H,2H2,1H3

InChIKey

VJMQZWNVBFOPTL-UHFFFAOYSA-N

Compound name

ethyl 5-iodo-1,2-oxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 266.93924 Da
Monoisotopic Mass: 1.6
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]+	267.94652	139.3
[M+Na]+	289.92846	141.5
[M-H]-	265.93196	135.8
[M+NH4]+	284.97306	154.5
[M+K]+	305.90240	148.1
[M+H-H2O]+	249.93650	129.9
[M+HCOO]-	311.93744	157.8
[M+CH3COO]-	325.95309	183.2
[M+Na-2H]-	287.91391	133.1
[M]+	266.93869	140.5
[M]-	266.93979	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe