CID 146049456

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

Structural Information

Molecular Formula
C18H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC2(C)C3CN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H32BNO4/c1-15(2,3)22-14(21)20-10-12(11-20)18(8)9-13(18)19-23-16(4,5)17(6,7)24-19/h12-13H,9-11H2,1-8H3
InChIKey
BILIURDSGPUYRR-UHFFFAOYSA-N
Compound name
tert-butyl 3-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24971 172.9
[M+Na]+ 360.23165 179.8
[M-H]- 336.23515 183.2
[M+NH4]+ 355.27625 180.4
[M+K]+ 376.20559 184.7
[M+H-H2O]+ 320.23969 167.2
[M+HCOO]- 382.24063 184.6
[M+CH3COO]- 396.25628 215.7
[M+Na-2H]- 358.21710 175.6
[M]+ 337.24188 189.1
[M]- 337.24298 189.1
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

No patent data available for this compound.