CID 2773524

832695-88-2

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

475
Patents

179.07538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08266 137.0
[M+Na]+ 202.06460 146.9
[M+NH4]+ 197.10920 143.7
[M+K]+ 218.03854 143.2
[M-H]- 178.06810 137.4
[M+Na-2H]- 200.05005 141.7
[M]+ 179.07483 138.1
[M]- 179.07593 138.1
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