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

79
Patents

359.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.234056 180.1
[M+Na]+ 382.215998 185.5
[M-H]- 358.219504 189.8
[M+NH4]+ 377.260603 188.9
[M+K]+ 398.189938 189.0
[M+H-H2O]+ 342.224040 170.5
[M+HCOO]- 404.224981 193.8
[M+CH3COO]- 418.240631 217.1
[M+Na-2H]- 380.201446 181.7
[M]+ 359.22623142 192.9
[M]- 359.22732858 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