CID 94738

100-89-0

Structural Information

Molecular Formula
C18H36B2O6
SMILES
B1(OC(CC(O1)(C)C)C)OC(C)CC(C)(C)OB2OC(CC(O2)(C)C)C
InChI
InChI=1S/C18H36B2O6/c1-13-10-16(4,5)24-19(21-13)22-14(2)11-17(6,7)25-20-23-15(3)12-18(8,9)26-20/h13-15H,10-12H2,1-9H3
InChIKey
QXMQBCRKITYLGR-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-2-[2-methyl-4-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]pentan-2-yl]oxy-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

110
Patents

370.2698 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.27708 185.1
[M+Na]+ 393.25902 193.7
[M+NH4]+ 388.30362 192.9
[M+K]+ 409.23296 188.3
[M-H]- 369.26252 191.2
[M+Na-2H]- 391.24447 187.9
[M]+ 370.26925 188.4
[M]- 370.27035 188.4
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