CID 177798527

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

Structural Information

Molecular Formula
C5H4BrNO2
SMILES
CC1=C(ON=C1Br)C=O
InChI
InChI=1S/C5H4BrNO2/c1-3-4(2-8)9-7-5(3)6/h2H,1H3
InChIKey
VNJUSQDOPMGJIG-UHFFFAOYSA-N
Compound name
3-bromo-4-methyl-1,2-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.94254 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.949816 127.3
[M+Na]+ 211.931758 141.7
[M-H]- 187.935264 133.8
[M+NH4]+ 206.976363 150.2
[M+K]+ 227.905698 133.0
[M+H-H2O]+ 171.939800 127.9
[M+HCOO]- 233.940741 149.9
[M+CH3COO]- 247.956391 178.2
[M+Na-2H]- 209.917206 135.8
[M]+ 188.94199142 148.9
[M]- 188.94308858 148.9
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.