CID 23142541

859219-46-8

Structural Information

Molecular Formula
C14H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC3(CC2)CC3
InChI
InChI=1S/C14H23BO2/c1-12(2)13(3,4)17-15(16-12)11-5-7-14(8-6-11)9-10-14/h5H,6-10H2,1-4H3
InChIKey
KPZIKZBFRLOIDN-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

234.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18639 149.4
[M+Na]+ 257.16833 158.6
[M-H]- 233.17183 160.3
[M+NH4]+ 252.21293 168.0
[M+K]+ 273.14227 160.7
[M+H-H2O]+ 217.17637 145.7
[M+HCOO]- 279.17731 166.0
[M+CH3COO]- 293.19296 162.8
[M+Na-2H]- 255.15378 155.7
[M]+ 234.17856 152.4
[M]- 234.17966 152.4
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

patents stripe