CID 165591819

2732244-98-1

Structural Information

Molecular Formula
C7H8BrNO3
SMILES
COC(=O)C1=NOC(=C1)CCBr
InChI
InChI=1S/C7H8BrNO3/c1-11-7(10)6-4-5(2-3-8)12-9-6/h4H,2-3H2,1H3
InChIKey
HJBIWTNZMFBYQQ-UHFFFAOYSA-N
Compound name
methyl 5-(2-bromoethyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.96877 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.97605 140.9
[M+Na]+ 255.95799 153.2
[M-H]- 231.96149 146.8
[M+NH4]+ 251.00259 161.7
[M+K]+ 271.93193 145.0
[M+H-H2O]+ 215.96603 140.7
[M+HCOO]- 277.96697 162.0
[M+CH3COO]- 291.98262 184.8
[M+Na-2H]- 253.94344 147.7
[M]+ 232.96822 163.4
[M]- 232.96932 163.4
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

No patent data available for this compound.