CID 140225074

3-(2-bromoethyl)-1,2-oxazole

Structural Information

Molecular Formula
C5H6BrNO
SMILES
C1=CON=C1CCBr
InChI
InChI=1S/C5H6BrNO/c6-3-1-5-2-4-8-7-5/h2,4H,1,3H2
InChIKey
YTASEOZUJBJCFH-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.96329 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.970566 127.4
[M+Na]+ 197.952508 139.8
[M-H]- 173.956014 133.1
[M+NH4]+ 192.997113 150.4
[M+K]+ 213.926448 131.5
[M+H-H2O]+ 157.960550 127.7
[M+HCOO]- 219.961491 149.6
[M+CH3COO]- 233.977141 175.1
[M+Na-2H]- 195.937956 137.1
[M]+ 174.96274142 147.6
[M]- 174.96383858 147.6
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

patents stripe