CID 17887316

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

Structural Information

Molecular Formula
C5H6BrNO
SMILES
C1=COC(=N1)CCBr
InChI
InChI=1S/C5H6BrNO/c6-2-1-5-7-3-4-8-5/h3-4H,1-2H2
InChIKey
QXTQVCYJAOBQPL-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-1,3-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]+ 175.97057 127.4
[M+Na]+ 197.95251 139.8
[M-H]- 173.95601 133.1
[M+NH4]+ 192.99711 150.4
[M+K]+ 213.92645 131.5
[M+H-H2O]+ 157.96055 127.7
[M+HCOO]- 219.96149 149.6
[M+CH3COO]- 233.97714 175.1
[M+Na-2H]- 195.93796 137.1
[M]+ 174.96274 147.6
[M]- 174.96384 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