CID 91667919

1159919-02-4

Structural Information

Molecular Formula
C11H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCOC(=O)C2
InChI
InChI=1S/C11H19BO4/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h8H,5-7H2,1-4H3
InChIKey
PHRZZLLLMBDNOT-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.14491 144.9
[M+Na]+ 249.12685 152.3
[M-H]- 225.13035 153.5
[M+NH4]+ 244.17145 165.1
[M+K]+ 265.10079 155.0
[M+H-H2O]+ 209.13489 141.5
[M+HCOO]- 271.13583 161.7
[M+CH3COO]- 285.15148 188.0
[M+Na-2H]- 247.11230 150.7
[M]+ 226.13708 145.9
[M]- 226.13818 145.9
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.