CID 70700131

1-methyl-7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole

Structural Information

Molecular Formula
C15H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=CN3C
InChI
InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-8-6-7-11-9-10-17(5)13(11)12/h6-10H,1-5H3
InChIKey
SWOGXWISGFKQRK-UHFFFAOYSA-N
Compound name
1-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

257.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.165996 153.3
[M+Na]+ 280.147938 165.4
[M-H]- 256.151444 162.5
[M+NH4]+ 275.192543 175.9
[M+K]+ 296.121878 164.1
[M+H-H2O]+ 240.155980 148.7
[M+HCOO]- 302.156921 174.5
[M+CH3COO]- 316.172571 168.2
[M+Na-2H]- 278.133386 158.4
[M]+ 257.15817142 159.1
[M]- 257.15926858 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