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]+ 202.98146 122.9
[M+Na]+ 224.96340 133.5
[M-H]- 200.96690 129.0
[M+NH4]+ 220.00800 137.0
[M+K]+ 240.93734 127.3
[M+H-H2O]+ 184.97144 118.2
[M+HCOO]- 246.97238 140.9
[M+CH3COO]- 260.98803 180.7
[M+Na-2H]- 222.94885 131.2
[M]+ 201.97363 147.6
[M]- 201.97473 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.