CID 46739293

1150561-77-5

Structural Information

Molecular Formula
C10H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)CCC(=O)OC
InChI
InChI=1S/C10H19BO4/c1-9(2)10(3,4)15-11(14-9)7-6-8(12)13-5/h6-7H2,1-5H3
InChIKey
SWDXLJYTYJQFJI-UHFFFAOYSA-N
Compound name
methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

214.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.14491 141.9
[M+Na]+ 237.12685 150.1
[M-H]- 213.13035 147.1
[M+NH4]+ 232.17145 164.2
[M+K]+ 253.10079 152.6
[M+H-H2O]+ 197.13489 139.4
[M+HCOO]- 259.13583 161.9
[M+CH3COO]- 273.15148 186.8
[M+Na-2H]- 235.11230 147.8
[M]+ 214.13708 147.5
[M]- 214.13818 147.5
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.