CID 44119168

913835-85-5

Structural Information

Molecular Formula
C11H16BNO4
SMILES
B(C1=CC=C(C=C1)C(=O)NCCCOC)(O)O
InChI
InChI=1S/C11H16BNO4/c1-17-8-2-7-13-11(14)9-3-5-10(6-4-9)12(15)16/h3-6,15-16H,2,7-8H2,1H3,(H,13,14)
InChIKey
XYVBRVOOLKNOIC-UHFFFAOYSA-N
Compound name
[4-(3-methoxypropylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

237.11723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12451 153.3
[M+Na]+ 260.10645 162.0
[M+NH4]+ 255.15105 158.9
[M+K]+ 276.08039 158.2
[M-H]- 236.10995 153.0
[M+Na-2H]- 258.09190 156.8
[M]+ 237.11668 153.9
[M]- 237.11778 153.9
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