CID 57801730

5-bromo-4-methyl-1,3-oxazole hydrochloride

Structural Information

Molecular Formula
C4H4BrNO
SMILES
CC1=C(OC=N1)Br
InChI
InChI=1S/C4H4BrNO/c1-3-4(5)7-2-6-3/h2H,1H3
InChIKey
YEENPJFQTCNAHQ-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

160.94763 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe