CID 90388170

4-bromo-3-ethyl-5-methyl-1,2-oxazole

Structural Information

Molecular Formula
C6H8BrNO
SMILES
CCC1=NOC(=C1Br)C
InChI
InChI=1S/C6H8BrNO/c1-3-5-6(7)4(2)9-8-5/h3H2,1-2H3
InChIKey
QEKTYCMFXCXLRO-UHFFFAOYSA-N
Compound name
4-bromo-3-ethyl-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

188.97893 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.986206 131.0
[M+Na]+ 211.968148 144.8
[M-H]- 187.971654 137.3
[M+NH4]+ 207.012753 154.1
[M+K]+ 227.942088 136.1
[M+H-H2O]+ 171.976190 131.5
[M+HCOO]- 233.977131 152.8
[M+CH3COO]- 247.992781 180.0
[M+Na-2H]- 209.953596 138.9
[M]+ 188.97838142 152.2
[M]- 188.97947858 152.2
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.