CID 117258888

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

Structural Information

Molecular Formula
C7H10BrNO
SMILES
CC(C)(C)C1=NC=C(O1)Br
InChI
InChI=1S/C7H10BrNO/c1-7(2,3)6-9-4-5(8)10-6/h4H,1-3H3
InChIKey
KJBSKVVIPIJHNK-UHFFFAOYSA-N
Compound name
5-bromo-2-tert-butyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

202.99458 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.00186 137.3
[M+Na]+ 225.98380 150.4
[M-H]- 201.98730 143.6
[M+NH4]+ 221.02840 159.8
[M+K]+ 241.95774 141.8
[M+H-H2O]+ 185.99184 138.2
[M+HCOO]- 247.99278 157.4
[M+CH3COO]- 262.00843 181.5
[M+Na-2H]- 223.96925 146.0
[M]+ 202.99403 158.0
[M]- 202.99513 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