CID 21072607

851524-90-8

Structural Information

Molecular Formula
C15H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC=C3C
InChI
InChI=1S/C15H20BNO2/c1-10-9-17-13-7-6-11(8-12(10)13)16-18-14(2,3)15(4,5)19-16/h6-9,17H,1-5H3
InChIKey
ZBUVLTNGYVADFR-UHFFFAOYSA-N
Compound name
3-methyl-5-(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

48
Patents

257.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.165996 154.4
[M+Na]+ 280.147938 166.0
[M-H]- 256.151444 162.2
[M+NH4]+ 275.192543 176.3
[M+K]+ 296.121878 163.9
[M+H-H2O]+ 240.155980 150.0
[M+HCOO]- 302.156921 174.0
[M+CH3COO]- 316.172571 168.6
[M+Na-2H]- 278.133386 159.0
[M]+ 257.15817142 158.4
[M]- 257.15926858 158.4
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