CID 115038646

2-bromo-5-methyl-4-(oxolan-3-yl)-1,3-oxazole

Structural Information

Molecular Formula
C8H10BrNO2
SMILES
CC1=C(N=C(O1)Br)C2CCOC2
InChI
InChI=1S/C8H10BrNO2/c1-5-7(10-8(9)12-5)6-2-3-11-4-6/h6H,2-4H2,1H3
InChIKey
SBHMBMYSMZNJPZ-UHFFFAOYSA-N
Compound name
2-bromo-5-methyl-4-(oxolan-3-yl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.98949 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.996766 145.2
[M+Na]+ 253.978708 157.3
[M-H]- 229.982214 154.6
[M+NH4]+ 249.023313 166.6
[M+K]+ 269.952648 150.1
[M+H-H2O]+ 213.986750 146.0
[M+HCOO]- 275.987691 165.2
[M+CH3COO]- 290.003341 184.5
[M+Na-2H]- 251.964156 150.4
[M]+ 230.98894142 164.7
[M]- 230.99003858 164.7
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.