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

65
Patents

193.09102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09830 140.1
[M+Na]+ 216.08024 146.2
[M-H]- 192.08374 142.6
[M+NH4]+ 211.12484 158.5
[M+K]+ 232.05418 145.7
[M+H-H2O]+ 176.08828 134.2
[M+HCOO]- 238.08922 161.8
[M+CH3COO]- 252.10487 184.4
[M+Na-2H]- 214.06569 143.3
[M]+ 193.09047 139.7
[M]- 193.09157 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