CID 3874247

850567-23-6

Structural Information

Molecular Formula
C10H12BNO3
SMILES
B(C1=CC(=CC=C1)C(=O)NC2CC2)(O)O
InChI
InChI=1S/C10H12BNO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9,14-15H,4-5H2,(H,12,13)
InChIKey
ACYLEYDBPWXTIO-UHFFFAOYSA-N
Compound name
[3-(cyclopropylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

285
Patents

205.09102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.098296 137.8
[M+Na]+ 228.080238 145.3
[M-H]- 204.083744 142.9
[M+NH4]+ 223.124843 150.3
[M+K]+ 244.054178 141.8
[M+H-H2O]+ 188.088280 131.7
[M+HCOO]- 250.089221 159.4
[M+CH3COO]- 264.104871 185.9
[M+Na-2H]- 226.065686 142.4
[M]+ 205.09047142 138.1
[M]- 205.09156858 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