CID 53398535

741709-59-1

Structural Information

Molecular Formula
C13H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(=O)C
InChI
InChI=1S/C13H18BNO3/c1-9(16)11-7-6-10(8-15-11)14-17-12(2,3)13(4,5)18-14/h6-8H,1-5H3
InChIKey
ISRQZHALMLGEGD-UHFFFAOYSA-N
Compound name
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

247.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14525 152.5
[M+Na]+ 270.12719 164.8
[M+NH4]+ 265.17179 162.5
[M+K]+ 286.10113 158.5
[M-H]- 246.13069 157.3
[M+Na-2H]- 268.11264 160.1
[M]+ 247.13742 156.0
[M]- 247.13852 156.0
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