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

68
Patents

247.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14525 150.1
[M+Na]+ 270.12719 159.6
[M-H]- 246.13069 157.7
[M+NH4]+ 265.17179 169.8
[M+K]+ 286.10113 160.3
[M+H-H2O]+ 230.13523 145.1
[M+HCOO]- 292.13617 169.3
[M+CH3COO]- 306.15182 193.8
[M+Na-2H]- 268.11264 155.2
[M]+ 247.13742 153.9
[M]- 247.13852 153.9
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