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]+ 204.001856 135.7
[M+Na]+ 225.983798 149.1
[M-H]- 201.987304 141.9
[M+NH4]+ 221.028403 158.3
[M+K]+ 241.957738 140.2
[M+H-H2O]+ 185.991840 136.1
[M+HCOO]- 247.992781 157.3
[M+CH3COO]- 262.008431 182.8
[M+Na-2H]- 223.969246 143.1
[M]+ 202.99403142 157.3
[M]- 202.99512858 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.