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

3528
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

literature stripe

Patent stripe

patents stripe