CID 64159420

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

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C1CC1C2=NOC(=C2)CBr
InChI
InChI=1S/C7H8BrNO/c8-4-6-3-7(9-10-6)5-1-2-5/h3,5H,1-2,4H2
InChIKey
OWWHSXGUYIKDGG-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-cyclopropyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

200.97893 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 132.0
[M+Na]+ 223.96815 136.9
[M+NH4]+ 219.01275 138.0
[M+K]+ 239.94209 139.6
[M-H]- 199.97165 139.9
[M+Na-2H]- 221.95360 138.1
[M]+ 200.97838 134.8
[M]- 200.97948 134.8
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