CID 94738

1,3,2-dioxaborinane, 2,2'-((1,1,3-trimethyl-1,3-propanediyl)bis(oxy))bis(4,4,6-trimethyl-

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

116
Patents

370.2698 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.27708 185.2
[M+Na]+ 393.25902 189.2
[M-H]- 369.26252 193.3
[M+NH4]+ 388.30362 196.6
[M+K]+ 409.23296 194.7
[M+H-H2O]+ 353.26706 180.4
[M+HCOO]- 415.26800 194.1
[M+CH3COO]- 429.28365 220.2
[M+Na-2H]- 391.24447 189.3
[M]+ 370.26925 190.7
[M]- 370.27035 190.7
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