CID 71743277

1471258-32-8

Structural Information

Molecular Formula
C15H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CC(=O)N(C3=CC=C2)C
InChI
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)11-7-6-8-12-10(11)9-13(18)17(12)5/h6-8H,9H2,1-5H3
InChIKey
OFHIFUKFENSKPS-UHFFFAOYSA-N
Compound name
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

273.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16091 157.0
[M+Na]+ 296.14285 168.0
[M-H]- 272.14635 165.7
[M+NH4]+ 291.18745 178.8
[M+K]+ 312.11679 167.0
[M+H-H2O]+ 256.15089 152.9
[M+HCOO]- 318.15183 175.5
[M+CH3COO]- 332.16748 199.5
[M+Na-2H]- 294.12830 159.9
[M]+ 273.15308 161.0
[M]- 273.15418 161.0
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