CID 155970240

3-(2-bromoethyl)-5-methyl-1,2-oxazole

Structural Information

Molecular Formula
C6H8BrNO
SMILES
CC1=CC(=NO1)CCBr
InChI
InChI=1S/C6H8BrNO/c1-5-4-6(2-3-7)8-9-5/h4H,2-3H2,1H3
InChIKey
KDTJWOGMVPQPAG-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98621 131.6
[M+Na]+ 211.96815 144.5
[M-H]- 187.97165 137.6
[M+NH4]+ 207.01275 154.4
[M+K]+ 227.94209 135.9
[M+H-H2O]+ 171.97619 131.9
[M+HCOO]- 233.97713 153.5
[M+CH3COO]- 247.99278 179.0
[M+Na-2H]- 209.95360 140.2
[M]+ 188.97838 152.5
[M]- 188.97948 152.5
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.