CID 80463425

3-(bromomethyl)-5-ethyl-4-methyl-1,2-oxazole

Structural Information

Molecular Formula
C7H10BrNO
SMILES
CCC1=C(C(=NO1)CBr)C
InChI
InChI=1S/C7H10BrNO/c1-3-7-5(2)6(4-8)9-10-7/h3-4H2,1-2H3
InChIKey
MYTIFBXDXDDMJB-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5-ethyl-4-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.99458 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.00186 139.5
[M+Na]+ 225.98380 142.8
[M+NH4]+ 221.02840 144.3
[M+K]+ 241.95774 144.3
[M-H]- 201.98730 140.4
[M+Na-2H]- 223.96925 141.5
[M]+ 202.99403 139.0
[M]- 202.99513 139.0
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.