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 141.6
[M+Na]+ 253.94233 156.1
[M-H]- 229.94583 150.4
[M+NH4]+ 248.98693 157.5
[M+K]+ 269.91627 145.7
[M+H-H2O]+ 213.95037 141.2
[M+HCOO]- 275.95131 161.5
[M+CH3COO]- 289.96696 186.0
[M+Na-2H]- 251.92778 147.5
[M]+ 230.95256 163.2
[M]- 230.95366 163.2
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.