CID 11759390

2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C7H15BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C
InChI
InChI=1S/C7H15BO2/c1-6(2)7(3,4)10-8(5)9-6/h1-5H3
InChIKey
FOQJHZPURACERJ-UHFFFAOYSA-N
Compound name
2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3473
Patents

142.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.12380 122.7
[M+Na]+ 165.10574 132.3
[M-H]- 141.10924 128.4
[M+NH4]+ 160.15034 148.1
[M+K]+ 181.07968 134.6
[M+H-H2O]+ 125.11378 120.7
[M+HCOO]- 187.11472 144.1
[M+CH3COO]- 201.13037 174.3
[M+Na-2H]- 163.09119 131.2
[M]+ 142.11597 125.7
[M]- 142.11707 125.7
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

No patent data available for this compound.