CID 165987266

2-{7,10-dioxadispiro[2.2.4^{6}.2^{3}]dodecan-1-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H27BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC23CCC4(CC3)OCCO4
InChI
InChI=1S/C16H27BO4/c1-13(2)14(3,4)21-17(20-13)12-11-15(12)5-7-16(8-6-15)18-9-10-19-16/h12H,5-11H2,1-4H3
InChIKey
VHOFAEZPFAEFHC-UHFFFAOYSA-N
Compound name
2-(7,10-dioxadispiro[2.2.46.23]dodecan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.20023 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.207506 159.3
[M+Na]+ 317.189448 167.6
[M-H]- 293.192954 172.5
[M+NH4]+ 312.234053 176.2
[M+K]+ 333.163388 172.7
[M+H-H2O]+ 277.197490 157.7
[M+HCOO]- 339.198431 170.4
[M+CH3COO]- 353.214081 171.7
[M+Na-2H]- 315.174896 164.8
[M]+ 294.19968142 162.8
[M]- 294.20077858 162.8
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

No patent data available for this compound.