CID 84075729

4-bromo-5-methoxy-1,2-oxazole

Structural Information

Molecular Formula
C4H4BrNO2
SMILES
COC1=C(C=NO1)Br
InChI
InChI=1S/C4H4BrNO2/c1-7-4-3(5)2-6-8-4/h2H,1H3
InChIKey
RXLRZIGZPDUEOM-UHFFFAOYSA-N
Compound name
4-bromo-5-methoxy-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.94254 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.94982 124.6
[M+Na]+ 199.93176 138.3
[M-H]- 175.93526 130.9
[M+NH4]+ 194.97636 147.8
[M+K]+ 215.90570 130.6
[M+H-H2O]+ 159.93980 125.2
[M+HCOO]- 221.94074 147.4
[M+CH3COO]- 235.95639 175.2
[M+Na-2H]- 197.91721 134.3
[M]+ 176.94199 146.2
[M]- 176.94309 146.2
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.