CID 67086194

1572399-64-4

Structural Information

Molecular Formula
C18H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H32BNO4/c1-16(2,3)22-15(21)20(8)14-11-9-13(10-12-14)19-23-17(4,5)18(6,7)24-19/h9,14H,10-12H2,1-8H3
InChIKey
BWSRPHKNNQXJFZ-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

337.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24971 177.9
[M+Na]+ 360.23165 185.5
[M+NH4]+ 355.27625 186.7
[M+K]+ 376.20559 181.1
[M-H]- 336.23515 182.2
[M+Na-2H]- 358.21710 182.7
[M]+ 337.24188 180.4
[M]- 337.24298 180.4
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