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

78
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

No literature data available for this compound.

Patent stripe

patents stripe