CID 121552302

4-(bromomethyl)-2,5-dimethyl-1,3-oxazole

Structural Information

Molecular Formula
C6H8BrNO
SMILES
CC1=C(N=C(O1)C)CBr
InChI
InChI=1S/C6H8BrNO/c1-4-6(3-7)8-5(2)9-4/h3H2,1-2H3
InChIKey
SWIPAFLFIFAHEC-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2,5-dimethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 135.0
[M+Na]+ 211.96815 138.4
[M+NH4]+ 207.01275 139.9
[M+K]+ 227.94209 140.2
[M-H]- 187.97165 135.8
[M+Na-2H]- 209.95360 137.2
[M]+ 188.97838 134.5
[M]- 188.97948 134.5
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