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]+ 189.98621 132.1
[M+Na]+ 211.96815 144.2
[M-H]- 187.97165 137.7
[M+NH4]+ 207.01275 154.6
[M+K]+ 227.94209 135.6
[M+H-H2O]+ 171.97619 132.2
[M+HCOO]- 233.97713 154.0
[M+CH3COO]- 247.99278 177.9
[M+Na-2H]- 209.95360 141.3
[M]+ 188.97838 152.6
[M]- 188.97948 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.