CID 83907270

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

Structural Information

Molecular Formula
C5H4BrNO2
SMILES
CC1=C(C(=NO1)Br)C=O
InChI
InChI=1S/C5H4BrNO2/c1-3-4(2-8)5(6)7-9-3/h2H,1H3
InChIKey
UIVAGRJEOXTGFR-UHFFFAOYSA-N
Compound name
3-bromo-5-methyl-1,2-oxazole-4-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 127.3
[M+Na]+ 211.93176 141.7
[M-H]- 187.93526 133.8
[M+NH4]+ 206.97636 150.2
[M+K]+ 227.90570 133.0
[M+H-H2O]+ 171.93980 127.9
[M+HCOO]- 233.94074 149.9
[M+CH3COO]- 247.95639 178.2
[M+Na-2H]- 209.91721 135.8
[M]+ 188.94199 148.9
[M]- 188.94309 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.