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]+ 295.20751 159.3
[M+Na]+ 317.18945 167.6
[M-H]- 293.19295 172.5
[M+NH4]+ 312.23405 176.2
[M+K]+ 333.16339 172.7
[M+H-H2O]+ 277.19749 157.7
[M+HCOO]- 339.19843 170.4
[M+CH3COO]- 353.21408 171.7
[M+Na-2H]- 315.17490 164.8
[M]+ 294.19968 162.8
[M]- 294.20078 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.