CID 178199989

Rac-4,4,5,5-tetramethyl-2-[(1r,2s)-2-(2-methylpropyl)cyclopropyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2CC(C)C
InChI
InChI=1S/C13H25BO2/c1-9(2)7-10-8-11(10)14-15-12(3,4)13(5,6)16-14/h9-11H,7-8H2,1-6H3/t10-,11-/m1/s1
InChIKey
MKKTUIYJXYAWMI-GHMZBOCLSA-N
Compound name
4,4,5,5-tetramethyl-2-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.202036 146.7
[M+Na]+ 247.183978 155.9
[M-H]- 223.187484 155.8
[M+NH4]+ 242.228583 164.0
[M+K]+ 263.157918 157.6
[M+H-H2O]+ 207.192020 143.5
[M+HCOO]- 269.192961 164.2
[M+CH3COO]- 283.208611 195.6
[M+Na-2H]- 245.169426 150.6
[M]+ 224.19421142 153.1
[M]- 224.19530858 153.1
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.