CID 2773375

4-(diethylcarbamoyl)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: 156
Patents: 221.12233 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.12961	149.5
[M+Na]+	244.11155	154.7
[M-H]-	220.11505	151.6
[M+NH4]+	239.15615	166.8
[M+K]+	260.08549	153.8
[M+H-H2O]+	204.11959	143.2
[M+HCOO]-	266.12053	170.5
[M+CH3COO]-	280.13618	190.5
[M+Na-2H]-	242.09700	151.6
[M]+	221.12178	149.8
[M]-	221.12288	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe