CID 58343656

1191063-75-8

Structural Information

Molecular Formula
C16H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CC(=O)CC3)C=C2
InChI
InChI=1S/C16H21BO3/c1-15(2)16(3,4)20-17(19-15)13-7-5-12-10-14(18)8-6-11(12)9-13/h5,7,9H,6,8,10H2,1-4H3
InChIKey
ZITCBMVSFHOFEC-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

272.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.16568 158.9
[M+Na]+ 295.14762 167.9
[M-H]- 271.15112 168.1
[M+NH4]+ 290.19222 179.9
[M+K]+ 311.12156 166.9
[M+H-H2O]+ 255.15566 153.9
[M+HCOO]- 317.15660 176.2
[M+CH3COO]- 331.17225 198.8
[M+Na-2H]- 293.13307 163.6
[M]+ 272.15785 160.1
[M]- 272.15895 160.1
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

patents stripe