CID 140751831

Schembl16936333

Structural Information

Molecular Formula
C20H30BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CN(C3)C(=O)OC(C)(C)C)O
InChI
InChI=1S/C20H30BNO5/c1-17(2,3)25-16(23)22-12-20(24,13-22)14-8-10-15(11-9-14)21-26-18(4,5)19(6,7)27-21/h8-11,24H,12-13H2,1-7H3
InChIKey
MQBMXQSJNNTJJH-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-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

5
Patents

375.2217 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22898 182.6
[M+Na]+ 398.21092 188.2
[M-H]- 374.21442 191.3
[M+NH4]+ 393.25552 191.9
[M+K]+ 414.18486 191.9
[M+H-H2O]+ 358.21896 174.4
[M+HCOO]- 420.21990 194.9
[M+CH3COO]- 434.23555 216.8
[M+Na-2H]- 396.19637 185.5
[M]+ 375.22115 195.7
[M]- 375.22225 195.7
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