CID 167716948

Tert-butyl 3-(3-bromo-1,2-oxazol-5-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H15BrN2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=CC(=NO2)Br
InChI
InChI=1S/C11H15BrN2O3/c1-11(2,3)16-10(15)14-5-7(6-14)8-4-9(12)13-17-8/h4,7H,5-6H2,1-3H3
InChIKey
IPEWQYUGIPYZCR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-bromo-1,2-oxazol-5-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.0266 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03388 151.8
[M+Na]+ 325.01582 161.5
[M-H]- 301.01932 159.2
[M+NH4]+ 320.06042 163.0
[M+K]+ 340.98976 156.3
[M+H-H2O]+ 285.02386 146.6
[M+HCOO]- 347.02480 167.5
[M+CH3COO]- 361.04045 199.9
[M+Na-2H]- 323.00127 156.8
[M]+ 302.02605 180.6
[M]- 302.02715 180.6
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