CID 165985382

En300-37353813

Structural Information

Molecular Formula
C18H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CC(C2)NC(=O)OC(C)(C)C)C3CC3
InChI
InChI=1S/C18H32BNO4/c1-15(2,3)22-14(21)20-13-10-18(11-13,12-8-9-12)19-23-16(4,5)17(6,7)24-19/h12-13H,8-11H2,1-7H3,(H,20,21)
InChIKey
NXPNSBQRLYYNHP-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]carbamate
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 171.5
[M+Na]+ 360.23165 176.6
[M-H]- 336.23515 182.7
[M+NH4]+ 355.27625 179.6
[M+K]+ 376.20559 181.7
[M+H-H2O]+ 320.23969 165.9
[M+HCOO]- 382.24063 185.3
[M+CH3COO]- 396.25628 216.7
[M+Na-2H]- 358.21710 175.6
[M]+ 337.24188 186.3
[M]- 337.24298 186.3
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.