CID 2773359

515140-26-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

252
Patents

205.09102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09830 137.8
[M+Na]+ 228.08024 145.3
[M-H]- 204.08374 142.9
[M+NH4]+ 223.12484 150.3
[M+K]+ 244.05418 141.8
[M+H-H2O]+ 188.08828 131.7
[M+HCOO]- 250.08922 159.4
[M+CH3COO]- 264.10487 185.9
[M+Na-2H]- 226.06569 142.4
[M]+ 205.09047 138.1
[M]- 205.09157 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

literature stripe

Patent stripe

patents stripe