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]+ 276.176556 161.0
[M+Na]+ 298.158498 168.8
[M-H]- 274.162004 169.5
[M+NH4]+ 293.203103 180.5
[M+K]+ 314.132438 169.0
[M+H-H2O]+ 258.166540 156.3
[M+HCOO]- 320.167481 181.8
[M+CH3COO]- 334.183131 201.4
[M+Na-2H]- 296.143946 165.6
[M]+ 275.16873142 164.2
[M]- 275.16982858 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