CID 10014880

159770-26-0

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 144.9
[M+Na]+ 269.97362 157.6
[M-H]- 245.97712 151.0
[M+NH4]+ 265.01822 165.5
[M+K]+ 285.94756 149.1
[M+H-H2O]+ 229.98166 144.7
[M+HCOO]- 291.98260 165.7
[M+CH3COO]- 305.99825 188.8
[M+Na-2H]- 267.95907 150.6
[M]+ 246.98385 168.1
[M]- 246.98495 168.1
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