CID 21762776

134892-14-1

Structural Information

Molecular Formula
C14H27BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)CC(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H27BO4/c1-10(11(16)17-12(2,3)4)9-15-18-13(5,6)14(7,8)19-15/h10H,9H2,1-8H3
InChIKey
YWNMEPZYBIEVOK-UHFFFAOYSA-N
Compound name
tert-butyl 2-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

0
Patents

270.20023 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.20751 158.0
[M+Na]+ 293.18945 164.9
[M-H]- 269.19295 162.9
[M+NH4]+ 288.23405 178.3
[M+K]+ 309.16339 167.5
[M+H-H2O]+ 253.19749 156.2
[M+HCOO]- 315.19843 174.3
[M+CH3COO]- 329.21408 199.5
[M+Na-2H]- 291.17490 162.2
[M]+ 270.19968 164.1
[M]- 270.20078 164.1
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.