CID 165604708

1,2-dimethyl-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=C(N3C)C
InChI
InChI=1S/C16H22BNO2/c1-11-10-12-8-7-9-13(14(12)18(11)6)17-19-15(2,3)16(4,5)20-17/h7-10H,1-6H3
InChIKey
UZPULUFTZAGYHZ-UHFFFAOYSA-N
Compound name
1,2-dimethyl-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

0
Patents

271.17435 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18163 157.0
[M+Na]+ 294.16357 169.5
[M-H]- 270.16707 166.4
[M+NH4]+ 289.20817 179.3
[M+K]+ 310.13751 168.0
[M+H-H2O]+ 254.17161 152.6
[M+HCOO]- 316.17255 177.8
[M+CH3COO]- 330.18820 171.8
[M+Na-2H]- 292.14902 161.0
[M]+ 271.17380 163.5
[M]- 271.17490 163.5
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

No patent data available for this compound.