CID 132327929

2-(bromomethyl)-4-tert-butyl-1,3-oxazole

Structural Information

Molecular Formula
C8H12BrNO
SMILES
CC(C)(C)C1=COC(=N1)CBr
InChI
InChI=1S/C8H12BrNO/c1-8(2,3)6-5-11-7(4-9)10-6/h5H,4H2,1-3H3
InChIKey
YQAZZKUJFFRPES-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4-tert-butyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.01022 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.017496 142.1
[M+Na]+ 239.999438 154.8
[M-H]- 216.002944 148.2
[M+NH4]+ 235.044043 164.1
[M+K]+ 255.973378 145.9
[M+H-H2O]+ 200.007480 142.7
[M+HCOO]- 262.008421 161.9
[M+CH3COO]- 276.024071 184.3
[M+Na-2H]- 237.984886 150.2
[M]+ 217.00967142 163.1
[M]- 217.01076858 163.1
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