CID 2756768

669713-95-5

Structural Information

Molecular Formula
C12H18BNO5
SMILES
B(C1=CC(=C(C=C1)NC(=O)OC(C)(C)C)OC)(O)O
InChI
InChI=1S/C12H18BNO5/c1-12(2,3)19-11(15)14-9-6-5-8(13(16)17)7-10(9)18-4/h5-7,16-17H,1-4H3,(H,14,15)
InChIKey
PAWJDEHKEKNFAN-UHFFFAOYSA-N
Compound name
[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

267.1278 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13508 159.7
[M+Na]+ 290.11702 167.9
[M+NH4]+ 285.16162 164.4
[M+K]+ 306.09096 165.9
[M-H]- 266.12052 158.3
[M+Na-2H]- 288.10247 162.3
[M]+ 267.12725 160.1
[M]- 267.12835 160.1
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