CID 89963653

Schembl15466068

Structural Information

Molecular Formula
C15H29BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC(OC(C2)(C)C)(C)C
InChI
InChI=1S/C15H29BO3/c1-12(2)9-11(10-13(3,4)17-12)16-18-14(5,6)15(7,8)19-16/h11H,9-10H2,1-8H3
InChIKey
NMKOUIOLLXEHQC-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2,2,6,6-tetramethyloxan-4-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

268.22098 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.22826 149.8
[M+Na]+ 291.21020 158.3
[M-H]- 267.21370 158.8
[M+NH4]+ 286.25480 172.8
[M+K]+ 307.18414 160.9
[M+H-H2O]+ 251.21824 148.1
[M+HCOO]- 313.21918 165.1
[M+CH3COO]- 327.23483 199.7
[M+Na-2H]- 289.19565 156.3
[M]+ 268.22043 153.1
[M]- 268.22153 153.1
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