CID 135395309

1-ethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole

Structural Information

Molecular Formula
C16H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=CN3CC
InChI
InChI=1S/C16H22BNO2/c1-6-18-11-10-12-8-7-9-13(14(12)18)17-19-15(2,3)16(4,5)20-17/h7-11H,6H2,1-5H3
InChIKey
QFGGJRAAQHCIEQ-UHFFFAOYSA-N
Compound name
1-ethyl-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

10
Patents

271.17435 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18163 158.0
[M+Na]+ 294.16357 169.7
[M-H]- 270.16707 167.0
[M+NH4]+ 289.20817 180.0
[M+K]+ 310.13751 168.2
[M+H-H2O]+ 254.17161 153.2
[M+HCOO]- 316.17255 178.8
[M+CH3COO]- 330.18820 172.5
[M+Na-2H]- 292.14902 162.5
[M]+ 271.17380 164.1
[M]- 271.17490 164.1
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