CID 155943594

2-{2,5-dioxaspiro[3.5]non-7-en-7-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC3(COC3)OC2
InChI
InChI=1S/C13H21BO4/c1-11(2)12(3,4)18-14(17-11)10-5-6-13(16-7-10)8-15-9-13/h5H,6-9H2,1-4H3
InChIKey
XPTMERDWJBULEY-UHFFFAOYSA-N
Compound name
2-(2,5-dioxaspiro[3.5]non-7-en-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16057 142.4
[M+Na]+ 275.14251 148.6
[M-H]- 251.14601 153.7
[M+NH4]+ 270.18711 156.0
[M+K]+ 291.11645 154.9
[M+H-H2O]+ 235.15055 135.9
[M+HCOO]- 297.15149 157.4
[M+CH3COO]- 311.16714 195.2
[M+Na-2H]- 273.12796 150.9
[M]+ 252.15274 153.3
[M]- 252.15384 153.3
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.