CID 44119601

4-(bromomethyl)oxazole

Structural Information

Molecular Formula
C4H4BrNO
SMILES
C1=C(N=CO1)CBr
InChI
InChI=1S/C4H4BrNO/c5-1-4-2-7-3-6-4/h2-3H,1H2
InChIKey
QUAHYLYAIBFWNF-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

160.94763 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.95491 127.0
[M+Na]+ 183.93685 130.1
[M+NH4]+ 178.98145 132.3
[M+K]+ 199.91079 132.1
[M-H]- 159.94035 127.9
[M+Na-2H]- 181.92230 130.2
[M]+ 160.94708 126.5
[M]- 160.94818 126.5
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