CID 44119823

2-(dimethylaminocarbonyl)benzeneboronic acid

Structural Information

Molecular Formula
C9H12BNO3
SMILES
B(C1=CC=CC=C1C(=O)N(C)C)(O)O
InChI
InChI=1S/C9H12BNO3/c1-11(2)9(12)7-5-3-4-6-8(7)10(13)14/h3-6,13-14H,1-2H3
InChIKey
NZIOVLXULSCCSG-UHFFFAOYSA-N
Compound name
[2-(dimethylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

193.09102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.098296 140.1
[M+Na]+ 216.080238 146.2
[M-H]- 192.083744 142.6
[M+NH4]+ 211.124843 158.5
[M+K]+ 232.054178 145.7
[M+H-H2O]+ 176.088280 134.2
[M+HCOO]- 238.089221 161.8
[M+CH3COO]- 252.104871 184.4
[M+Na-2H]- 214.065686 143.3
[M]+ 193.09047142 139.7
[M]- 193.09156858 139.7
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