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

227
Patents

257.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16600 153.6
[M+Na]+ 280.14794 167.6
[M+NH4]+ 275.19254 165.4
[M+K]+ 296.12188 161.5
[M-H]- 256.15144 159.8
[M+Na-2H]- 278.13339 161.7
[M]+ 257.15817 157.9
[M]- 257.15927 157.9
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