CID 14361578

4-bromo-5-methylisoxazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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 126.4
[M+Na]+ 183.93685 129.8
[M+NH4]+ 178.98145 131.6
[M+K]+ 199.91079 132.0
[M-H]- 159.94035 127.3
[M+Na-2H]- 181.92230 129.4
[M]+ 160.94708 125.9
[M]- 160.94818 125.9
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