CID 45791246

1287753-35-8

Structural Information

Molecular Formula
C13H20BNO4
SMILES
B(C1=CC=C(C=C1)CN(C)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C13H20BNO4/c1-13(2,3)19-12(16)15(4)9-10-5-7-11(8-6-10)14(17)18/h5-8,17-18H,9H2,1-4H3
InChIKey
GHRFYNCASJLKQN-UHFFFAOYSA-N
Compound name
[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

265.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15581 160.6
[M+Na]+ 288.13775 165.5
[M-H]- 264.14125 162.8
[M+NH4]+ 283.18235 176.4
[M+K]+ 304.11169 165.3
[M+H-H2O]+ 248.14579 154.5
[M+HCOO]- 310.14673 179.7
[M+CH3COO]- 324.16238 197.7
[M+Na-2H]- 286.12320 162.8
[M]+ 265.14798 162.5
[M]- 265.14908 162.5
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