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]+ 231.99677 145.2
[M+Na]+ 253.97871 157.3
[M-H]- 229.98221 154.6
[M+NH4]+ 249.02331 166.6
[M+K]+ 269.95265 150.1
[M+H-H2O]+ 213.98675 146.0
[M+HCOO]- 275.98769 165.2
[M+CH3COO]- 290.00334 184.5
[M+Na-2H]- 251.96416 150.4
[M]+ 230.98894 164.7
[M]- 230.99004 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.