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

41
Patents

237.11723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.124506 152.4
[M+Na]+ 260.106448 157.3
[M-H]- 236.109954 152.9
[M+NH4]+ 255.151053 168.2
[M+K]+ 276.080388 155.5
[M+H-H2O]+ 220.114490 145.8
[M+HCOO]- 282.115431 173.1
[M+CH3COO]- 296.131081 189.2
[M+Na-2H]- 258.091896 155.3
[M]+ 237.11668142 152.8
[M]- 237.11777858 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