CID 45480194

1002309-52-5

Structural Information

Molecular Formula
C12H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C=C2)C
InChI
InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9/h6-8H,1-5H3
InChIKey
IJUNZKOKAXJGRQ-UHFFFAOYSA-N
Compound name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

910
Patents

235.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14525 144.6
[M+Na]+ 258.12719 155.7
[M-H]- 234.13069 152.6
[M+NH4]+ 253.17179 165.2
[M+K]+ 274.10113 156.1
[M+H-H2O]+ 218.13523 139.9
[M+HCOO]- 280.13617 165.1
[M+CH3COO]- 294.15182 191.2
[M+Na-2H]- 256.11264 150.8
[M]+ 235.13742 149.1
[M]- 235.13852 149.1
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