CID 4193502

2-(pivalamido)phenylboronic acid

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

102
Patents

221.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12961 149.2
[M+Na]+ 244.11155 154.8
[M-H]- 220.11505 150.3
[M+NH4]+ 239.15615 166.1
[M+K]+ 260.08549 153.0
[M+H-H2O]+ 204.11959 143.8
[M+HCOO]- 266.12053 168.2
[M+CH3COO]- 280.13618 186.8
[M+Na-2H]- 242.09700 153.0
[M]+ 221.12178 147.7
[M]- 221.12288 147.7
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