CID 145874387

2-(2-cyclohexylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H27BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC2C3CCCCC3
InChI
InChI=1S/C15H27BO2/c1-14(2)15(3,4)18-16(17-14)13-10-12(13)11-8-6-5-7-9-11/h11-13H,5-10H2,1-4H3
InChIKey
DYVCJWOYPUWVFB-UHFFFAOYSA-N
Compound name
2-(2-cyclohexylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.2104 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.21768 154.3
[M+Na]+ 273.19962 161.5
[M-H]- 249.20312 165.4
[M+NH4]+ 268.24422 170.0
[M+K]+ 289.17356 162.9
[M+H-H2O]+ 233.20766 149.8
[M+HCOO]- 295.20860 169.6
[M+CH3COO]- 309.22425 197.3
[M+Na-2H]- 271.18507 157.1
[M]+ 250.20985 155.4
[M]- 250.21095 155.4
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.