CID 16217778

837392-62-8

Structural Information

Molecular Formula
C15H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C=C3)C
InChI
InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-6-7-13-11(10-12)8-9-17(13)5/h6-10H,1-5H3
InChIKey
JQLYKUPEQYNDFF-UHFFFAOYSA-N
Compound name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

258
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

literature stripe

Patent stripe

patents stripe