CID 134830345

Methyl 2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetate

Structural Information

Molecular Formula
C14H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)CC(=O)OC
InChI
InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)10-7-6-8-16-11(10)9-12(17)18-5/h6-8H,9H2,1-5H3
InChIKey
COIRALZXGCGQFM-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15581 158.0
[M+Na]+ 300.13775 167.0
[M-H]- 276.14125 165.4
[M+NH4]+ 295.18235 176.4
[M+K]+ 316.11169 168.1
[M+H-H2O]+ 260.14579 152.7
[M+HCOO]- 322.14673 177.1
[M+CH3COO]- 336.16238 198.2
[M+Na-2H]- 298.12320 162.7
[M]+ 277.14798 163.6
[M]- 277.14908 163.6
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.