CID 165643990

5-(3-bromopropyl)-1,3-oxazole

Structural Information

Molecular Formula
C6H8BrNO
SMILES
C1=C(OC=N1)CCCBr
InChI
InChI=1S/C6H8BrNO/c7-3-1-2-6-4-8-5-9-6/h4-5H,1-3H2
InChIKey
SOPCSCPQSVSCNR-UHFFFAOYSA-N
Compound name
5-(3-bromopropyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.986206 132.1
[M+Na]+ 211.968148 144.2
[M-H]- 187.971654 137.7
[M+NH4]+ 207.012753 154.6
[M+K]+ 227.942088 135.6
[M+H-H2O]+ 171.976190 132.2
[M+HCOO]- 233.977131 154.0
[M+CH3COO]- 247.992781 177.9
[M+Na-2H]- 209.953596 141.3
[M]+ 188.97838142 152.6
[M]- 188.97947858 152.6
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

No patent data available for this compound.