CID 71766555

1454308-53-2

Structural Information

Molecular Formula
C11H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CCOC2=O
InChI
InChI=1S/C11H19BO4/c1-10(2)11(3,4)16-12(15-10)7-8-5-6-14-9(8)13/h8H,5-7H2,1-4H3
InChIKey
USEJNKAUNKBWKO-UHFFFAOYSA-N
Compound name
3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

226.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.14491 143.9
[M+Na]+ 249.12685 152.1
[M-H]- 225.13035 152.7
[M+NH4]+ 244.17145 165.9
[M+K]+ 265.10079 154.4
[M+H-H2O]+ 209.13489 142.1
[M+HCOO]- 271.13583 162.9
[M+CH3COO]- 285.15148 187.9
[M+Na-2H]- 247.11230 148.7
[M]+ 226.13708 147.0
[M]- 226.13818 147.0
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