CID 64160088

5-(bromomethyl)-3-(2-methylpropyl)-1,2-oxazole

Structural Information

Molecular Formula
C8H12BrNO
SMILES
CC(C)CC1=NOC(=C1)CBr
InChI
InChI=1S/C8H12BrNO/c1-6(2)3-7-4-8(5-9)11-10-7/h4,6H,3,5H2,1-2H3
InChIKey
WMLOKYGFYDHXFZ-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-(2-methylpropyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.0
[M+Na]+ 239.999438 153.9
[M-H]- 216.002944 147.7
[M+NH4]+ 235.044043 163.7
[M+K]+ 255.973378 145.0
[M+H-H2O]+ 200.007480 142.0
[M+HCOO]- 262.008421 162.2
[M+CH3COO]- 276.024071 185.4
[M+Na-2H]- 237.984886 148.2
[M]+ 217.00967142 162.9
[M]- 217.01076858 162.9
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.