CID 44118253

2-methyl-2h-indazole-5-boronic acid, pinacol ester

Structural Information

Molecular Formula
C14H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CN(N=C3C=C2)C
InChI
InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-6-7-12-10(8-11)9-17(5)16-12/h6-9H,1-5H3
InChIKey
PFZWGNKMAGHYBG-UHFFFAOYSA-N
Compound name
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

258.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.161236 153.1
[M+Na]+ 281.143178 165.5
[M-H]- 257.146684 161.0
[M+NH4]+ 276.187783 174.2
[M+K]+ 297.117118 164.5
[M+H-H2O]+ 241.151220 147.4
[M+HCOO]- 303.152161 173.3
[M+CH3COO]- 317.167811 167.6
[M+Na-2H]- 279.128626 158.2
[M]+ 258.15341142 159.0
[M]- 258.15450858 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

literature stripe

Patent stripe

patents stripe