CID 12174845

36958-62-0

Structural Information

Molecular Formula
C6H8BrNO
SMILES
CCC1=NOC(=C1)CBr
InChI
InChI=1S/C6H8BrNO/c1-2-5-3-6(4-7)9-8-5/h3H,2,4H2,1H3
InChIKey
YCZVNYPFSNGXGJ-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-ethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

188.97893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98621 135.5
[M+Na]+ 211.96815 138.6
[M+NH4]+ 207.01275 140.5
[M+K]+ 227.94209 140.2
[M-H]- 187.97165 136.3
[M+Na-2H]- 209.95360 137.9
[M]+ 188.97838 135.0
[M]- 188.97948 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe