CID 3613184

380430-49-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1099
Patents

237.11723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12451 152.8
[M+Na]+ 260.10645 161.4
[M+NH4]+ 255.15105 158.3
[M+K]+ 276.08039 158.8
[M-H]- 236.10995 152.0
[M+Na-2H]- 258.09190 156.4
[M]+ 237.11668 153.4
[M]- 237.11778 153.4
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