CID 82404289

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

Structural Information

Molecular Formula
C5H4BrNO2
SMILES
CC1=C(C(=NO1)C=O)Br
InChI
InChI=1S/C5H4BrNO2/c1-3-5(6)4(2-8)7-9-3/h2H,1H3
InChIKey
UUHMROGRPOLRFB-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1,2-oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.94254 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.94982 132.9
[M+Na]+ 211.93176 136.1
[M+NH4]+ 206.97636 137.2
[M+K]+ 227.90570 138.5
[M-H]- 187.93526 133.1
[M+Na-2H]- 209.91721 134.9
[M]+ 188.94199 132.1
[M]- 188.94309 132.1
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

No patent data available for this compound.