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 153.7
[M+Na]+ 287.15374 161.9
[M-H]- 263.15724 163.2
[M+NH4]+ 282.19834 172.8
[M+K]+ 303.12768 163.7
[M+H-H2O]+ 247.16178 149.4
[M+HCOO]- 309.16272 171.4
[M+CH3COO]- 323.17837 167.0
[M+Na-2H]- 285.13919 155.0
[M]+ 264.16397 156.1
[M]- 264.16507 156.1
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