CID 105443992

1600230-26-9

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]+ 189.986206 132.5
[M+Na]+ 211.968148 145.1
[M-H]- 187.971654 138.6
[M+NH4]+ 207.012753 155.2
[M+K]+ 227.942088 136.8
[M+H-H2O]+ 171.976190 132.8
[M+HCOO]- 233.977131 153.4
[M+CH3COO]- 247.992781 179.7
[M+Na-2H]- 209.953596 139.8
[M]+ 188.97838142 152.7
[M]- 188.97947858 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

No patent data available for this compound.