CID 2773595

230299-17-9

Structural Information

Molecular Formula
C20H32B2O4
SMILES
B1(O[C@@H]2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)B4O[C@@H]5C[C@H]6C[C@@H]([C@@]5(O4)C)C6(C)C
InChI
InChI=1S/C20H32B2O4/c1-17(2)11-7-13(17)19(5)15(9-11)23-21(25-19)22-24-16-10-12-8-14(18(12,3)4)20(16,6)26-22/h11-16H,7-10H2,1-6H3/t11-,12-,13-,14-,15-,16-,19+,20+/m1/s1
InChIKey
VNEZFUGEQURPEN-VGDIZKAKSA-N
Compound name
(1R,2S,6R,8R)-2,9,9-trimethyl-4-[(1R,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

358.24866 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.25594 189.2
[M+Na]+ 381.23788 191.3
[M-H]- 357.24138 193.7
[M+NH4]+ 376.28248 201.5
[M+K]+ 397.21182 194.7
[M+H-H2O]+ 341.24592 178.2
[M+HCOO]- 403.24686 185.7
[M+CH3COO]- 417.26251 195.0
[M+Na-2H]- 379.22333 191.2
[M]+ 358.24811 209.6
[M]- 358.24921 209.6
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