CID 46738655

957062-71-4

Structural Information

Molecular Formula
C13H18BNO4
SMILES
B(C1=CC(=CC=C1)C(=O)NC2CCC(CC2)O)(O)O
InChI
InChI=1S/C13H18BNO4/c16-12-6-4-11(5-7-12)15-13(17)9-2-1-3-10(8-9)14(18)19/h1-3,8,11-12,16,18-19H,4-7H2,(H,15,17)
InChIKey
WBAACPSTIIWUDJ-UHFFFAOYSA-N
Compound name
[3-[(4-hydroxycyclohexyl)carbamoyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14015 159.8
[M+Na]+ 286.12209 168.2
[M+NH4]+ 281.16669 165.9
[M+K]+ 302.09603 164.6
[M-H]- 262.12559 161.4
[M+Na-2H]- 284.10754 163.6
[M]+ 263.13232 160.9
[M]- 263.13342 160.9
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