CID 44632185

1204312-99-1

Structural Information

Molecular Formula
C11H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(\C)/C(=O)OC
InChI
InChI=1S/C11H19BO4/c1-8(9(13)14-6)7-12-15-10(2,3)11(4,5)16-12/h7H,1-6H3/b8-7+
InChIKey
DYOCUQRWRFJJIB-BQYQJAHWSA-N
Compound name
methyl (E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
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 145.3
[M+Na]+ 249.12685 153.3
[M-H]- 225.13035 150.5
[M+NH4]+ 244.17145 167.1
[M+K]+ 265.10079 155.4
[M+H-H2O]+ 209.13489 143.0
[M+HCOO]- 271.13583 164.3
[M+CH3COO]- 285.15148 189.2
[M+Na-2H]- 247.11230 149.6
[M]+ 226.13708 149.9
[M]- 226.13818 149.9
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.