CID 2763224

3-bromo-5-methyl-1,2-oxazole

Structural Information

Molecular Formula
C4H4BrNO
SMILES
CC1=CC(=NO1)Br
InChI
InChI=1S/C4H4BrNO/c1-3-2-4(5)6-7-3/h2H,1H3
InChIKey
ICLAWFDDNFPOFQ-UHFFFAOYSA-N
Compound name
3-bromo-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

160.94763 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.95491 122.1
[M+Na]+ 183.93685 135.9
[M-H]- 159.94035 128.4
[M+NH4]+ 178.98145 146.0
[M+K]+ 199.91079 127.7
[M+H-H2O]+ 143.94489 122.9
[M+HCOO]- 205.94583 144.6
[M+CH3COO]- 219.96148 173.3
[M+Na-2H]- 181.92230 131.8
[M]+ 160.94708 142.3
[M]- 160.94818 142.3
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