CID 83680913

1391739-84-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 132.5
[M+Na]+ 211.96815 145.1
[M-H]- 187.97165 138.6
[M+NH4]+ 207.01275 155.2
[M+K]+ 227.94209 136.8
[M+H-H2O]+ 171.97619 132.8
[M+HCOO]- 233.97713 153.4
[M+CH3COO]- 247.99278 179.7
[M+Na-2H]- 209.95360 139.8
[M]+ 188.97838 152.7
[M]- 188.97948 152.7
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

patents stripe