CID 11171797

Racemic, trans-1-cyclopropyl-cyclopropyl-2-boronic acid pinacol ester

Structural Information

Molecular Formula
C12H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@H]2C[C@@H]2C3CC3
InChI
InChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-7-9(10)8-5-6-8/h8-10H,5-7H2,1-4H3/t9-,10+/m1/s1
InChIKey
MFOCKZYRZAVWDO-ZJUUUORDSA-N
Compound name
2-[(1S,2S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

208.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.17075 130.1
[M+Na]+ 231.15269 143.0
[M+NH4]+ 226.19729 141.5
[M+K]+ 247.12663 140.7
[M-H]- 207.15619 148.3
[M+Na-2H]- 229.13814 142.6
[M]+ 208.16292 139.5
[M]- 208.16402 139.5
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