CID 80487134

5-(bromomethyl)-3-cyclobutyl-1,2-oxazole

Structural Information

Molecular Formula
C8H10BrNO
SMILES
C1CC(C1)C2=NOC(=C2)CBr
InChI
InChI=1S/C8H10BrNO/c9-5-7-4-8(10-11-7)6-2-1-3-6/h4,6H,1-3,5H2
InChIKey
JYAITXITTRWALY-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-cyclobutyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.99458 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.001856 127.2
[M+Na]+ 237.983798 137.6
[M-H]- 213.987304 135.8
[M+NH4]+ 233.028403 142.8
[M+K]+ 253.957738 131.9
[M+H-H2O]+ 197.991840 123.1
[M+HCOO]- 259.992781 147.2
[M+CH3COO]- 274.008431 186.1
[M+Na-2H]- 235.969246 135.3
[M]+ 214.99403142 153.8
[M]- 214.99512858 153.8
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.