CID 11265016

7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole

Structural Information

Molecular Formula
C14H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=CN3
InChI
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-5-6-10-8-9-16-12(10)11/h5-9,16H,1-4H3
InChIKey
QAXZRSICOHKXML-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

243.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15035 150.5
[M+Na]+ 266.13229 161.7
[M-H]- 242.13579 158.1
[M+NH4]+ 261.17689 172.6
[M+K]+ 282.10623 159.8
[M+H-H2O]+ 226.14033 145.9
[M+HCOO]- 288.14127 170.5
[M+CH3COO]- 302.15692 164.7
[M+Na-2H]- 264.11774 156.2
[M]+ 243.14252 153.7
[M]- 243.14362 153.7
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