CID 45480187

1-methyl-1h-indazole-4-boronic acid pinacol ester

Structural Information

Molecular Formula
C14H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=NN(C3=CC=C2)C
InChI
InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-7-6-8-12-10(11)9-16-17(12)5/h6-9H,1-5H3
InChIKey
OZHFBNULPUBRJF-UHFFFAOYSA-N
Compound name
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

258.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16124 153.1
[M+Na]+ 281.14318 165.5
[M-H]- 257.14668 161.0
[M+NH4]+ 276.18778 174.2
[M+K]+ 297.11712 164.5
[M+H-H2O]+ 241.15122 147.4
[M+HCOO]- 303.15216 173.3
[M+CH3COO]- 317.16781 167.6
[M+Na-2H]- 279.12863 158.2
[M]+ 258.15341 159.0
[M]- 258.15451 159.0
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