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

576
Patents

179.07538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.082656 135.9
[M+Na]+ 202.064598 142.3
[M-H]- 178.068104 137.1
[M+NH4]+ 197.109203 154.3
[M+K]+ 218.038538 140.6
[M+H-H2O]+ 162.072640 130.3
[M+HCOO]- 224.073581 157.5
[M+CH3COO]- 238.089231 178.0
[M+Na-2H]- 200.050046 140.4
[M]+ 179.07483142 133.9
[M]- 179.07592858 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