CID 123498197

1505515-91-2

Structural Information

Molecular Formula
C20H30BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC3CN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H30BNO5/c1-18(2,3)25-17(23)22-12-16(13-22)24-15-10-8-14(9-11-15)21-26-19(4,5)20(6,7)27-21/h8-11,16H,12-13H2,1-7H3
InChIKey
OQOYMXJORZTQKS-UHFFFAOYSA-N
Compound name
tert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

375.2217 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22898 182.5
[M+Na]+ 398.21092 187.5
[M-H]- 374.21442 192.1
[M+NH4]+ 393.25552 190.4
[M+K]+ 414.18486 191.8
[M+H-H2O]+ 358.21896 172.8
[M+HCOO]- 420.21990 196.3
[M+CH3COO]- 434.23555 219.2
[M+Na-2H]- 396.19637 184.4
[M]+ 375.22115 196.7
[M]- 375.22225 196.7
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