CID 68989993

1613639-40-9

Structural Information

Molecular Formula
C16H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)C34CC4
InChI
InChI=1S/C16H20BNO3/c1-14(2)15(3,4)21-17(20-14)10-5-6-12-11(9-10)16(7-8-16)13(19)18-12/h5-6,9H,7-8H2,1-4H3,(H,18,19)
InChIKey
KVUVOHGOZWNQBR-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

285.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16091 161.4
[M+Na]+ 308.14285 173.6
[M-H]- 284.14635 171.2
[M+NH4]+ 303.18745 178.9
[M+K]+ 324.11679 172.3
[M+H-H2O]+ 268.15089 158.2
[M+HCOO]- 330.15183 176.5
[M+CH3COO]- 344.16748 174.3
[M+Na-2H]- 306.12830 165.6
[M]+ 285.15308 166.3
[M]- 285.15418 166.3
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