CID 22352397

1-(tert-butyldimethylsilyl)-1h-indole-4-boronic acid

Structural Information

Molecular Formula
C14H22BNO2Si
SMILES
B(C1=C2C=CN(C2=CC=C1)[Si](C)(C)C(C)(C)C)(O)O
InChI
InChI=1S/C14H22BNO2Si/c1-14(2,3)19(4,5)16-10-9-11-12(15(17)18)7-6-8-13(11)16/h6-10,17-18H,1-5H3
InChIKey
PTZKCFPZTHUQTI-UHFFFAOYSA-N
Compound name
[1-[tert-butyl(dimethyl)silyl]indol-4-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

275.15128 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15856 164.1
[M+Na]+ 298.14050 172.3
[M-H]- 274.14400 165.3
[M+NH4]+ 293.18510 181.9
[M+K]+ 314.11444 168.9
[M+H-H2O]+ 258.14854 159.0
[M+HCOO]- 320.14948 180.3
[M+CH3COO]- 334.16513 194.0
[M+Na-2H]- 296.12595 168.7
[M]+ 275.15073 166.3
[M]- 275.15183 166.3
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