CID 3693263

397843-70-8

Structural Information

Molecular Formula
C11H16BNO3
SMILES
B(C1=CC(=CC=C1)C(=O)NCCCC)(O)O
InChI
InChI=1S/C11H16BNO3/c1-2-3-7-13-11(14)9-5-4-6-10(8-9)12(15)16/h4-6,8,15-16H,2-3,7H2,1H3,(H,13,14)
InChIKey
UMTGJEHDHSYNMS-UHFFFAOYSA-N
Compound name
[3-(butylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

221.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12961 150.4
[M+Na]+ 244.11155 159.7
[M+NH4]+ 239.15615 156.6
[M+K]+ 260.08549 155.3
[M-H]- 220.11505 150.7
[M+Na-2H]- 242.09700 154.4
[M]+ 221.12178 151.4
[M]- 221.12288 151.4
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