CID 10014880

Ethyl 5-bromomethyl-3-methylisoxazole-4-carboxylate

Structural Information

Molecular Formula
C8H10BrNO3
SMILES
CCOC(=O)C1=C(ON=C1C)CBr
InChI
InChI=1S/C8H10BrNO3/c1-3-12-8(11)7-5(2)10-13-6(7)4-9/h3-4H2,1-2H3
InChIKey
YAZBZCVAONLBJW-UHFFFAOYSA-N
Compound name
ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

246.9844 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99168 148.5
[M+Na]+ 269.97362 150.4
[M+NH4]+ 265.01822 151.8
[M+K]+ 285.94756 153.4
[M-H]- 245.97712 148.0
[M+Na-2H]- 267.95907 149.0
[M]+ 246.98385 147.3
[M]- 246.98495 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe