CID 66570714

1251732-64-5

Structural Information

Molecular Formula
C17H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H30BNO4/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/h8,13H,9-11H2,1-7H3,(H,19,20)
InChIKey
BQDDQHLYCAQNMX-UHFFFAOYSA-N
Compound name
tert-butyl 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

229
Patents

323.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23406 174.5
[M+Na]+ 346.21600 182.1
[M+NH4]+ 341.26060 183.2
[M+K]+ 362.18994 177.3
[M-H]- 322.21950 178.5
[M+Na-2H]- 344.20145 179.2
[M]+ 323.22623 176.8
[M]- 323.22733 176.8
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