CID 115022447

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

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C1CC(C1)C2=CN=C(O2)Br
InChI
InChI=1S/C7H8BrNO/c8-7-9-4-6(10-7)5-2-1-3-5/h4-5H,1-3H2
InChIKey
IOQLUHWCFBTWQP-UHFFFAOYSA-N
Compound name
2-bromo-5-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]+ 201.986206 122.5
[M+Na]+ 223.968148 133.3
[M-H]- 199.971654 131.2
[M+NH4]+ 219.012753 138.6
[M+K]+ 239.942088 127.8
[M+H-H2O]+ 183.976190 118.6
[M+HCOO]- 245.977131 142.8
[M+CH3COO]- 259.992781 183.3
[M+Na-2H]- 221.953596 131.1
[M]+ 200.97838142 148.8
[M]- 200.97947858 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.