CID 137944568

4,4,5,5-tetramethyl-2-[3-(propan-2-yl)bicyclo[1.1.1]pentan-1-yl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C(C)C
InChI
InChI=1S/C14H25BO2/c1-10(2)13-7-14(8-13,9-13)15-16-11(3,4)12(5,6)17-15/h10H,7-9H2,1-6H3
InChIKey
UBPHPPVSPOUOPN-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.20204 163.6
[M+Na]+ 259.18398 167.4
[M-H]- 235.18748 170.6
[M+NH4]+ 254.22858 170.9
[M+K]+ 275.15792 173.0
[M+H-H2O]+ 219.19202 154.9
[M+HCOO]- 281.19296 172.9
[M+CH3COO]- 295.20861 219.0
[M+Na-2H]- 257.16943 168.2
[M]+ 236.19421 190.0
[M]- 236.19531 190.0
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.