CID 140672165

1706750-42-6

Structural Information

Molecular Formula
C13H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C(=C2)OC)C
InChI
InChI=1S/C13H20BNO4/c1-12(2)13(3,4)19-14(18-12)9-7-10(17-6)11(16)15(5)8-9/h7-8H,1-6H3
InChIKey
IURKMGDACGNSCI-UHFFFAOYSA-N
Compound name
3-methoxy-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

33
Patents

265.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15581 151.0
[M+Na]+ 288.13775 162.4
[M-H]- 264.14125 159.2
[M+NH4]+ 283.18235 170.6
[M+K]+ 304.11169 163.2
[M+H-H2O]+ 248.14579 146.3
[M+HCOO]- 310.14673 171.4
[M+CH3COO]- 324.16238 197.6
[M+Na-2H]- 286.12320 156.4
[M]+ 265.14798 157.8
[M]- 265.14908 157.8
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