CID 153449607

4-bromo-2-tert-butyl-1,3-oxazole

Structural Information

Molecular Formula
C7H10BrNO
SMILES
CC(C)(C)C1=NC(=CO1)Br
InChI
InChI=1S/C7H10BrNO/c1-7(2,3)6-9-5(8)4-10-6/h4H,1-3H3
InChIKey
JBNBJFYZFCWKGE-UHFFFAOYSA-N
Compound name
4-bromo-2-tert-butyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

202.99458 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.001856 137.3
[M+Na]+ 225.983798 150.4
[M-H]- 201.987304 143.6
[M+NH4]+ 221.028403 159.8
[M+K]+ 241.957738 141.8
[M+H-H2O]+ 185.991840 138.2
[M+HCOO]- 247.992781 157.4
[M+CH3COO]- 262.008431 181.5
[M+Na-2H]- 223.969246 146.0
[M]+ 202.99403142 158.0
[M]- 202.99512858 158.0
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