CID 58746869

119771-23-2

Structural Information

Molecular Formula
C14H20BNO6
SMILES
B(C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C14H20BNO6/c1-14(2,3)22-13(19)16-11(12(17)18)8-9-4-6-10(7-5-9)15(20)21/h4-7,11,20-21H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey
SGRRXMOSJYUMBY-NSHDSACASA-N
Compound name
(2S)-3-(4-boronophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

309.13837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14565 169.7
[M+Na]+ 332.12759 175.3
[M+NH4]+ 327.17219 172.5
[M+K]+ 348.10153 175.2
[M-H]- 308.13109 166.4
[M+Na-2H]- 330.11304 170.2
[M]+ 309.13782 168.8
[M]- 309.13892 168.8
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