CID 44119168

4-(3-methoxypropylcarbamoyl)benzeneboronic acid

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

40
Patents

237.11723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12451 152.4
[M+Na]+ 260.10645 157.3
[M-H]- 236.10995 152.9
[M+NH4]+ 255.15105 168.2
[M+K]+ 276.08039 155.5
[M+H-H2O]+ 220.11449 145.8
[M+HCOO]- 282.11543 173.1
[M+CH3COO]- 296.13108 189.2
[M+Na-2H]- 258.09190 155.3
[M]+ 237.11668 152.8
[M]- 237.11778 152.8
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