CID 83680910

5-bromo-2-cyclopropyl-1,3-oxazole

Structural Information

Molecular Formula
C6H6BrNO
SMILES
C1CC1C2=NC=C(O2)Br
InChI
InChI=1S/C6H6BrNO/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2
InChIKey
DAGPJXRFHGZHPZ-UHFFFAOYSA-N
Compound name
5-bromo-2-cyclopropyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

186.96329 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 132.8
[M+Na]+ 209.95251 147.7
[M-H]- 185.95601 142.7
[M+NH4]+ 204.99711 151.1
[M+K]+ 225.92645 138.3
[M+H-H2O]+ 169.96055 132.4
[M+HCOO]- 231.96149 155.0
[M+CH3COO]- 245.97714 149.3
[M+Na-2H]- 207.93796 141.5
[M]+ 186.96274 153.9
[M]- 186.96384 153.9
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

patents stripe