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

3
Patents

325.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.249706 175.3
[M+Na]+ 348.231648 179.6
[M-H]- 324.235154 182.4
[M+NH4]+ 343.276253 192.8
[M+K]+ 364.205588 181.1
[M+H-H2O]+ 308.239690 171.6
[M+HCOO]- 370.240631 189.6
[M+CH3COO]- 384.256281 210.0
[M+Na-2H]- 346.217096 177.9
[M]+ 325.24188142 175.9
[M]- 325.24297858 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

patents stripe