CID 117272517

2173207-50-4

Structural Information

Molecular Formula
C17H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCC(CC2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H32BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h12-13H,8-11H2,1-7H3,(H,19,20)
InChIKey
ZWYIAEDQRNSROV-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24971 175.3
[M+Na]+ 348.23165 179.6
[M-H]- 324.23515 182.4
[M+NH4]+ 343.27625 192.8
[M+K]+ 364.20559 181.1
[M+H-H2O]+ 308.23969 171.6
[M+HCOO]- 370.24063 189.6
[M+CH3COO]- 384.25628 210.0
[M+Na-2H]- 346.21710 177.9
[M]+ 325.24188 175.9
[M]- 325.24298 175.9
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.