CID 46856416

1313399-38-0

Structural Information

Molecular Formula
C15H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CN(C3=O)C)C=C2
InChI
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)11-7-6-10-9-17(5)13(18)12(10)8-11/h6-8H,9H2,1-5H3
InChIKey
VBWYOZWWAKZWKG-UHFFFAOYSA-N
Compound name
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
Patents

273.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16091 158.7
[M+Na]+ 296.14285 170.7
[M+NH4]+ 291.18745 169.5
[M+K]+ 312.11679 165.6
[M-H]- 272.14635 163.8
[M+Na-2H]- 294.12830 164.3
[M]+ 273.15308 162.2
[M]- 273.15418 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe