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]+ 218.01750 142.0
[M+Na]+ 239.99944 153.9
[M-H]- 216.00294 147.7
[M+NH4]+ 235.04404 163.7
[M+K]+ 255.97338 145.0
[M+H-H2O]+ 200.00748 142.0
[M+HCOO]- 262.00842 162.2
[M+CH3COO]- 276.02407 185.4
[M+Na-2H]- 237.98489 148.2
[M]+ 217.00967 162.9
[M]- 217.01077 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.