CID 53217187

1036761-96-2

Structural Information

Molecular Formula
C15H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC(=O)NC
InChI
InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-8-6-7-11(9-12)10-13(18)17-5/h6-9H,10H2,1-5H3,(H,17,18)
InChIKey
LWIZOGWOSMFUEW-UHFFFAOYSA-N
Compound name
N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

275.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17656 161.0
[M+Na]+ 298.15850 168.8
[M-H]- 274.16200 169.5
[M+NH4]+ 293.20310 180.5
[M+K]+ 314.13244 169.0
[M+H-H2O]+ 258.16654 156.3
[M+HCOO]- 320.16748 181.8
[M+CH3COO]- 334.18313 201.4
[M+Na-2H]- 296.14395 165.6
[M]+ 275.16873 164.2
[M]- 275.16983 164.2
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