CID 2773524

3-(methylcarbamoyl)benzeneboronic acid

Structural Information

Molecular Formula
C8H10BNO3
SMILES
B(C1=CC(=CC=C1)C(=O)NC)(O)O
InChI
InChI=1S/C8H10BNO3/c1-10-8(11)6-3-2-4-7(5-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKey
FYFFPNFUVMBPRZ-UHFFFAOYSA-N
Compound name
[3-(methylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

567
Patents

179.07538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08266 135.9
[M+Na]+ 202.06460 142.3
[M-H]- 178.06810 137.1
[M+NH4]+ 197.10920 154.3
[M+K]+ 218.03854 140.6
[M+H-H2O]+ 162.07264 130.3
[M+HCOO]- 224.07358 157.5
[M+CH3COO]- 238.08923 178.0
[M+Na-2H]- 200.05005 140.4
[M]+ 179.07483 133.9
[M]- 179.07593 133.9
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