CID 145710905

Tert-butyl 2-bromo-1,3-oxazole-5-carboxylate

Structural Information

Molecular Formula
C8H10BrNO3
SMILES
CC(C)(C)OC(=O)C1=CN=C(O1)Br
InChI
InChI=1S/C8H10BrNO3/c1-8(2,3)13-6(11)5-4-10-7(9)12-5/h4H,1-3H3
InChIKey
HAOJRZMWQPNYLE-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.9844 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99168 146.2
[M+Na]+ 269.97362 158.6
[M-H]- 245.97712 152.4
[M+NH4]+ 265.01822 166.8
[M+K]+ 285.94756 150.6
[M+H-H2O]+ 229.98166 146.6
[M+HCOO]- 291.98260 165.6
[M+CH3COO]- 305.99825 187.4
[M+Na-2H]- 267.95907 153.4
[M]+ 246.98385 168.6
[M]- 246.98495 168.6
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.