CID 12793289

53257-32-2

Structural Information

Molecular Formula
C6H8BrNO
SMILES
CC1=C(C(=NO1)C)CBr
InChI
InChI=1S/C6H8BrNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
InChIKey
OQWAOAIUESMDOS-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-3,5-dimethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

188.97893 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98621 131.0
[M+Na]+ 211.96815 144.8
[M-H]- 187.97165 137.3
[M+NH4]+ 207.01275 154.1
[M+K]+ 227.94209 136.1
[M+H-H2O]+ 171.97619 131.5
[M+HCOO]- 233.97713 152.8
[M+CH3COO]- 247.99278 180.0
[M+Na-2H]- 209.95360 138.9
[M]+ 188.97838 152.2
[M]- 188.97948 152.2
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