CID 83911680

3-bromo-5-cyclopropyl-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
C1CC1C2=C(C(=NO2)Br)C(=O)O
InChI
InChI=1S/C7H6BrNO3/c8-6-4(7(10)11)5(12-9-6)3-1-2-3/h3H,1-2H2,(H,10,11)
InChIKey
KPASSSMHUJGVEF-UHFFFAOYSA-N
Compound name
3-bromo-5-cyclopropyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.95311 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 137.5
[M+Na]+ 253.94233 141.2
[M+NH4]+ 248.98693 141.9
[M+K]+ 269.91627 145.7
[M-H]- 229.94583 143.9
[M+Na-2H]- 251.92778 141.7
[M]+ 230.95256 139.5
[M]- 230.95366 139.5
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.