CID 90202778

Tert-butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C20H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-12-15(13-22)14-8-10-16(11-9-14)21-25-19(4,5)20(6,7)26-21/h8-11,15H,12-13H2,1-7H3
InChIKey
BBWNIJFXXRYFBX-UHFFFAOYSA-N
Compound name
tert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

359.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.23406 180.1
[M+Na]+ 382.21600 185.5
[M-H]- 358.21950 189.8
[M+NH4]+ 377.26060 188.9
[M+K]+ 398.18994 189.0
[M+H-H2O]+ 342.22404 170.5
[M+HCOO]- 404.22498 193.8
[M+CH3COO]- 418.24063 217.1
[M+Na-2H]- 380.20145 181.7
[M]+ 359.22623 192.9
[M]- 359.22733 192.9
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