CID 46912010

2-bromo-4-methyloxazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

160.94763 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe