CID 44119405

850568-32-0

Structural Information

Molecular Formula
C13H20BNO3
SMILES
B(C1=CC=C(C=C1)C(=O)N(CCC)CCC)(O)O
InChI
InChI=1S/C13H20BNO3/c1-3-9-15(10-4-2)13(16)11-5-7-12(8-6-11)14(17)18/h5-8,17-18H,3-4,9-10H2,1-2H3
InChIKey
YMGIJQOMEWJVKA-UHFFFAOYSA-N
Compound name
[4-(dipropylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

249.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16091 158.8
[M+Na]+ 272.14285 167.9
[M+NH4]+ 267.18745 165.0
[M+K]+ 288.11679 163.6
[M-H]- 248.14635 159.4
[M+Na-2H]- 270.12830 162.6
[M]+ 249.15308 159.9
[M]- 249.15418 159.9
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