CID 117258929

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

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C1CC(C1)C2=NC=C(O2)Br
InChI
InChI=1S/C7H8BrNO/c8-6-4-9-7(10-6)5-2-1-3-5/h4-5H,1-3H2
InChIKey
CLRRULLYLPNBLD-UHFFFAOYSA-N
Compound name
5-bromo-2-cyclobutyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.97893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 122.5
[M+Na]+ 223.96815 133.3
[M-H]- 199.97165 131.2
[M+NH4]+ 219.01275 138.6
[M+K]+ 239.94209 127.8
[M+H-H2O]+ 183.97619 118.6
[M+HCOO]- 245.97713 142.8
[M+CH3COO]- 259.99278 183.3
[M+Na-2H]- 221.95360 131.1
[M]+ 200.97838 148.8
[M]- 200.97948 148.8
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.