CID 166638266

F81627

Structural Information

Molecular Formula
C16H24BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H24BNO4/c1-14(2,3)20-13(19)12-10-11(8-9-18-12)17-21-15(4,5)16(6,7)22-17/h8-10H,1-7H3
InChIKey
MNQUGTJTRNCLTF-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17984 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18712 165.6
[M+Na]+ 328.16906 174.2
[M-H]- 304.17256 173.0
[M+NH4]+ 323.21366 183.1
[M+K]+ 344.14300 175.5
[M+H-H2O]+ 288.17710 161.0
[M+HCOO]- 350.17804 182.5
[M+CH3COO]- 364.19369 204.0
[M+Na-2H]- 326.15451 170.7
[M]+ 305.17929 171.4
[M]- 305.18039 171.4
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.