CID 71757662

1486485-62-4

Structural Information

Molecular Formula
C15H25BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2C3CCCCO3)C
InChI
InChI=1S/C15H25BN2O3/c1-11-10-12(16-20-14(2,3)15(4,5)21-16)18(17-11)13-8-6-7-9-19-13/h10,13H,6-9H2,1-5H3
InChIKey
ATJGEGCXZOEOJQ-UHFFFAOYSA-N
Compound name
3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

292.19583 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20311 164.8
[M+Na]+ 315.18505 175.7
[M+NH4]+ 310.22965 174.6
[M+K]+ 331.15899 171.7
[M-H]- 291.18855 171.8
[M+Na-2H]- 313.17050 170.6
[M]+ 292.19528 168.6
[M]- 292.19638 168.6
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