CID 99771146

1809837-97-5

Structural Information

Molecular Formula
C13H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)[C@@H]3CCOC3
InChI
InChI=1S/C13H21BN2O3/c1-12(2)13(3,4)19-14(18-12)10-7-15-16(8-10)11-5-6-17-9-11/h7-8,11H,5-6,9H2,1-4H3/t11-/m1/s1
InChIKey
FVBWLIPNYGDMCQ-LLVKDONJSA-N
Compound name
1-[(3R)-oxolan-3-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

264.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17180 154.6
[M+Na]+ 287.15374 164.6
[M+NH4]+ 282.19834 164.5
[M+K]+ 303.12768 163.1
[M-H]- 263.15724 160.9
[M+Na-2H]- 285.13919 160.5
[M]+ 264.16397 158.1
[M]- 264.16507 158.1
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

patents stripe