CID 66953483

1190861-74-5

Structural Information

Molecular Formula
C16H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(C(=O)N3)(C)C
InChI
InChI=1S/C16H22BNO3/c1-14(2)11-8-7-10(9-12(11)18-13(14)19)17-20-15(3,4)16(5,6)21-17/h7-9H,1-6H3,(H,18,19)
InChIKey
XBJDCWIXXIXHNK-UHFFFAOYSA-N
Compound name
3,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

287.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17656 158.9
[M+Na]+ 310.15850 170.1
[M-H]- 286.16200 166.4
[M+NH4]+ 305.20310 181.4
[M+K]+ 326.13244 168.2
[M+H-H2O]+ 270.16654 155.6
[M+HCOO]- 332.16748 175.6
[M+CH3COO]- 346.18313 199.9
[M+Na-2H]- 308.14395 162.5
[M]+ 287.16873 162.1
[M]- 287.16983 162.1
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

No patent data available for this compound.