CID 2773375

4-(n,n-diethylaminocarbonyl)phenylboronic acid

Structural Information

Molecular Formula
C11H16BNO3
SMILES
B(C1=CC=C(C=C1)C(=O)N(CC)CC)(O)O
InChI
InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3
InChIKey
ZCGVBHIMRVYWOH-UHFFFAOYSA-N
Compound name
[4-(diethylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

138
Patents

221.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12961 149.9
[M+Na]+ 244.11155 159.4
[M+NH4]+ 239.15615 156.4
[M+K]+ 260.08549 155.6
[M-H]- 220.11505 150.5
[M+Na-2H]- 242.09700 154.2
[M]+ 221.12178 151.1
[M]- 221.12288 151.1
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