CID 105443992

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

Structural Information

Molecular Formula
C6H8BrNO
SMILES
CC(C)C1=CN=C(O1)Br
InChI
InChI=1S/C6H8BrNO/c1-4(2)5-3-8-6(7)9-5/h3-4H,1-2H3
InChIKey
KNNNJILZLGNXAQ-UHFFFAOYSA-N
Compound name
2-bromo-5-propan-2-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98621 134.3
[M+Na]+ 211.96815 137.1
[M+NH4]+ 207.01275 139.2
[M+K]+ 227.94209 139.5
[M-H]- 187.97165 135.0
[M+Na-2H]- 209.95360 136.6
[M]+ 188.97838 133.7
[M]- 188.97948 133.7
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.