CID 67173843

1181825-29-5

Structural Information

Molecular Formula
C15H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C(=CN3)C
InChI
InChI=1S/C15H20BNO2/c1-10-9-17-13-11(10)7-6-8-12(13)16-18-14(2,3)15(4,5)19-16/h6-9,17H,1-5H3
InChIKey
BMBWYAHYJLTCPP-UHFFFAOYSA-N
Compound name
3-methyl-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

39
Patents

257.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16600 154.4
[M+Na]+ 280.14794 166.0
[M-H]- 256.15144 162.2
[M+NH4]+ 275.19254 176.3
[M+K]+ 296.12188 163.9
[M+H-H2O]+ 240.15598 150.0
[M+HCOO]- 302.15692 174.0
[M+CH3COO]- 316.17257 168.6
[M+Na-2H]- 278.13339 159.0
[M]+ 257.15817 158.4
[M]- 257.15927 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

literature stripe

Patent stripe

patents stripe