CID 67086485

1310481-47-0

Structural Information

Molecular Formula
C13H20BNO4
SMILES
B(C1=CC=C(C=C1)CCNC(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C13H20BNO4/c1-13(2,3)19-12(16)15-9-8-10-4-6-11(7-5-10)14(17)18/h4-7,17-18H,8-9H2,1-3H3,(H,15,16)
InChIKey
KNYILTVMRTVCDV-UHFFFAOYSA-N
Compound name
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

265.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15581 161.7
[M+Na]+ 288.13775 169.8
[M+NH4]+ 283.18235 166.8
[M+K]+ 304.11169 166.8
[M-H]- 264.14125 160.7
[M+Na-2H]- 286.12320 164.7
[M]+ 265.14798 162.2
[M]- 265.14908 162.2
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