CID 74788985

E-2070

Structural Information

Molecular Formula
C14H18BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=C(C=CC(=N2)C(=O)O)O
InChI
InChI=1S/C14H18BNO5/c1-13(2)14(3,4)21-15(20-13)8-7-9-11(17)6-5-10(16-9)12(18)19/h5-8,17H,1-4H3,(H,18,19)/b8-7+
InChIKey
WTOZVQHWGKJNCT-BQYQJAHWSA-N
Compound name
5-hydroxy-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1278 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13508 161.0
[M+Na]+ 314.11702 170.1
[M-H]- 290.12052 166.0
[M+NH4]+ 309.16162 177.5
[M+K]+ 330.09096 169.5
[M+H-H2O]+ 274.12506 156.5
[M+HCOO]- 336.12600 177.4
[M+CH3COO]- 350.14165 196.3
[M+Na-2H]- 312.10247 164.5
[M]+ 291.12725 164.2
[M]- 291.12835 164.2
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

No patent data available for this compound.