CID 18525769

884507-19-1

Structural Information

Molecular Formula
C15H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=CN3C
InChI
InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-6-11-8-9-17(5)13(11)10-12/h6-10H,1-5H3
InChIKey
AYJLGLUJQKZRDL-UHFFFAOYSA-N
Compound name
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

257.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16600 153.3
[M+Na]+ 280.14794 165.4
[M-H]- 256.15144 162.5
[M+NH4]+ 275.19254 175.9
[M+K]+ 296.12188 164.1
[M+H-H2O]+ 240.15598 148.7
[M+HCOO]- 302.15692 174.5
[M+CH3COO]- 316.17257 168.2
[M+Na-2H]- 278.13339 158.4
[M]+ 257.15817 159.1
[M]- 257.15927 159.1
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