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

13
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 137.2
[M+Na]+ 223.96815 151.7
[M-H]- 199.97165 146.9
[M+NH4]+ 219.01275 154.9
[M+K]+ 239.94209 142.0
[M+H-H2O]+ 183.97619 136.6
[M+HCOO]- 245.97713 159.0
[M+CH3COO]- 259.99278 183.7
[M+Na-2H]- 221.95360 145.3
[M]+ 200.97838 158.6
[M]- 200.97948 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