CID 318421

4-bromo-3,5-dimethyl-1,2-oxazole

Structural Information

Molecular Formula
C5H6BrNO
SMILES
CC1=C(C(=NO1)C)Br
InChI
InChI=1S/C5H6BrNO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKey
GYHZPSUAMYIFQD-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dimethyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

174.96329 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.970566 126.2
[M+Na]+ 197.952508 140.4
[M-H]- 173.956014 132.7
[M+NH4]+ 192.997113 149.8
[M+K]+ 213.926448 132.0
[M+H-H2O]+ 157.960550 127.0
[M+HCOO]- 219.961491 148.4
[M+CH3COO]- 233.977141 177.2
[M+Na-2H]- 195.937956 134.7
[M]+ 174.96274142 147.1
[M]- 174.96383858 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe