CID 167720957

5-(azetidin-3-yl)-3-bromo-1,2-oxazole hydrochloride

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
C1C(CN1)C2=CC(=NO2)Br
InChI
InChI=1S/C6H7BrN2O/c7-6-1-5(10-9-6)4-2-8-3-4/h1,4,8H,2-3H2
InChIKey
WTHCPEDRKGRFKJ-UHFFFAOYSA-N
Compound name
5-(azetidin-3-yl)-3-bromo-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.97418 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.981456 122.9
[M+Na]+ 224.963398 133.5
[M-H]- 200.966904 129.0
[M+NH4]+ 220.008003 137.0
[M+K]+ 240.937338 127.3
[M+H-H2O]+ 184.971440 118.2
[M+HCOO]- 246.972381 140.9
[M+CH3COO]- 260.988031 180.7
[M+Na-2H]- 222.948846 131.2
[M]+ 201.97363142 147.6
[M]- 201.97472858 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

No patent data available for this compound.