CID 165587085

2919960-65-7

Structural Information

Molecular Formula
C14H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2(CCC2)C(=O)OCC
InChI
InChI=1S/C14H25BO4/c1-6-17-11(16)14(8-7-9-14)10-15-18-12(2,3)13(4,5)19-15/h6-10H2,1-5H3
InChIKey
UQITULWXEUUVLM-UHFFFAOYSA-N
Compound name
ethyl 1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.19188 154.6
[M+Na]+ 291.17382 159.8
[M-H]- 267.17732 162.5
[M+NH4]+ 286.21842 169.9
[M+K]+ 307.14776 164.2
[M+H-H2O]+ 251.18186 148.5
[M+HCOO]- 313.18280 171.5
[M+CH3COO]- 327.19845 199.7
[M+Na-2H]- 289.15927 159.2
[M]+ 268.18405 167.6
[M]- 268.18515 167.6
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.