CID 14361578

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

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

42
Patents

160.94763 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.954906 122.1
[M+Na]+ 183.936848 135.9
[M-H]- 159.940354 128.4
[M+NH4]+ 178.981453 146.0
[M+K]+ 199.910788 127.7
[M+H-H2O]+ 143.944890 122.9
[M+HCOO]- 205.945831 144.6
[M+CH3COO]- 219.961481 173.3
[M+Na-2H]- 181.922296 131.8
[M]+ 160.94708142 142.3
[M]- 160.94817858 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