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 135.7
[M+Na]+ 225.98380 149.1
[M-H]- 201.98730 141.9
[M+NH4]+ 221.02840 158.3
[M+K]+ 241.95774 140.2
[M+H-H2O]+ 185.99184 136.1
[M+HCOO]- 247.99278 157.3
[M+CH3COO]- 262.00843 182.8
[M+Na-2H]- 223.96925 143.1
[M]+ 202.99403 157.3
[M]- 202.99513 157.3
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.