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

10
Patents

200.97893 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 137.2
[M+Na]+ 223.968148 151.7
[M-H]- 199.971654 146.9
[M+NH4]+ 219.012753 154.9
[M+K]+ 239.942088 142.0
[M+H-H2O]+ 183.976190 136.6
[M+HCOO]- 245.977131 159.0
[M+CH3COO]- 259.992781 183.7
[M+Na-2H]- 221.953596 145.3
[M]+ 200.97838142 158.6
[M]- 200.97947858 158.6
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