CID 155971299

En300-1155574

Structural Information

Molecular Formula
C16H27BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC23CCC(CC3)C(=O)OC
InChI
InChI=1S/C16H27BO4/c1-14(2)15(3,4)21-17(20-14)12-10-16(12)8-6-11(7-9-16)13(18)19-5/h11-12H,6-10H2,1-5H3
InChIKey
ZWLZTABCWKLGJG-UHFFFAOYSA-N
Compound name
methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[2.5]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.20023 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20751 164.1
[M+Na]+ 317.18945 172.2
[M-H]- 293.19295 174.5
[M+NH4]+ 312.23405 180.3
[M+K]+ 333.16339 174.5
[M+H-H2O]+ 277.19749 161.1
[M+HCOO]- 339.19843 177.9
[M+CH3COO]- 353.21408 203.9
[M+Na-2H]- 315.17490 167.4
[M]+ 294.19968 168.4
[M]- 294.20078 168.4
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.