CID 2773226

(2-boc-aminophenyl)boronic acid

Structural Information

Molecular Formula
C11H16BNO4
SMILES
B(C1=CC=CC=C1NC(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-7-5-4-6-8(9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
InChIKey
RMEIKYSECODAHJ-UHFFFAOYSA-N
Compound name
[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

237.11723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.124506 152.3
[M+Na]+ 260.106448 157.8
[M-H]- 236.109954 153.3
[M+NH4]+ 255.151053 168.5
[M+K]+ 276.080388 156.6
[M+H-H2O]+ 220.114490 146.6
[M+HCOO]- 282.115431 171.5
[M+CH3COO]- 296.131081 188.3
[M+Na-2H]- 258.091896 156.1
[M]+ 237.11668142 152.1
[M]- 237.11777858 152.1
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