CID 4193502

146140-95-6

Structural Information

Molecular Formula
C11H16BNO3
SMILES
B(C1=CC=CC=C1NC(=O)C(C)(C)C)(O)O
InChI
InChI=1S/C11H16BNO3/c1-11(2,3)10(14)13-9-7-5-4-6-8(9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
InChIKey
MXRAJVMTCAUABO-UHFFFAOYSA-N
Compound name
[2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

221.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12961 150.0
[M+Na]+ 244.11155 159.0
[M+NH4]+ 239.15615 156.0
[M+K]+ 260.08549 155.9
[M-H]- 220.11505 149.6
[M+Na-2H]- 242.09700 153.9
[M]+ 221.12178 150.8
[M]- 221.12288 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe