CID 53398056

937366-54-6

Structural Information

Molecular Formula
C14H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC3=CC=CC=C23
InChI
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-9-16-12-8-6-5-7-10(11)12/h5-9,16H,1-4H3
InChIKey
WQPRSRMWYVTUTE-UHFFFAOYSA-N
Compound name
3-(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

44
Patents

243.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15035 150.3
[M+Na]+ 266.13229 163.6
[M+NH4]+ 261.17689 161.9
[M+K]+ 282.10623 157.7
[M-H]- 242.13579 155.9
[M+Na-2H]- 264.11774 158.2
[M]+ 243.14252 154.2
[M]- 243.14362 154.2
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