CID 46739829

2-(aminocarbonylmethyl)phenylboronic acid, pinacol ester

Structural Information

Molecular Formula
C14H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CC(=O)N
InChI
InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)11-8-6-5-7-10(11)9-12(16)17/h5-8H,9H2,1-4H3,(H2,16,17)
InChIKey
CPFGCHYGAVWSDA-UHFFFAOYSA-N
Compound name
2-[2-(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

6
Patents

261.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16091 157.2
[M+Na]+ 284.14285 165.3
[M-H]- 260.14635 165.3
[M+NH4]+ 279.18745 176.9
[M+K]+ 300.11679 165.3
[M+H-H2O]+ 244.15089 152.6
[M+HCOO]- 306.15183 177.6
[M+CH3COO]- 320.16748 198.5
[M+Na-2H]- 282.12830 161.2
[M]+ 261.15308 159.1
[M]- 261.15418 159.1
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