CID 135396945

2245109-85-5

Structural Information

Molecular Formula
C16H27BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CCC(CC2)(CC3)C(=O)OC
InChI
InChI=1S/C16H27BO4/c1-13(2)14(3,4)21-17(20-13)16-9-6-15(7-10-16,8-11-16)12(18)19-5/h6-11H2,1-5H3
InChIKey
ROEOLPDHZIGRCS-UHFFFAOYSA-N
Compound name
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[2.2.2]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

294.20023 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20751 164.7
[M+Na]+ 317.18945 170.5
[M-H]- 293.19295 165.6
[M+NH4]+ 312.23405 191.3
[M+K]+ 333.16339 170.1
[M+H-H2O]+ 277.19749 159.7
[M+HCOO]- 339.19843 171.2
[M+CH3COO]- 353.21408 174.8
[M+Na-2H]- 315.17490 173.9
[M]+ 294.19968 169.5
[M]- 294.20078 169.5
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