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

literature stripe

Patent stripe

patents stripe