CID 2773610

(4r,5r)-2-butyl-n,n,n',n'-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide

Structural Information

Molecular Formula
C12H23BN2O4
SMILES
B1(O[C@H]([C@@H](O1)C(=O)N(C)C)C(=O)N(C)C)CCCC
InChI
InChI=1S/C12H23BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h9-10H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKey
AFQWQRBBIZKYTE-NXEZZACHSA-N
Compound name
(4R,5R)-2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

270.17508 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18236 167.6
[M+Na]+ 293.16430 171.8
[M-H]- 269.16780 174.7
[M+NH4]+ 288.20890 183.9
[M+K]+ 309.13824 175.6
[M+H-H2O]+ 253.17234 161.1
[M+HCOO]- 315.17328 189.0
[M+CH3COO]- 329.18893 210.0
[M+Na-2H]- 291.14975 167.0
[M]+ 270.17453 172.6
[M]- 270.17563 172.6
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

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