CID 66706462

1349734-01-5

Structural Information

Molecular Formula
C14H22BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C=C2)CCOC
InChI
InChI=1S/C14H22BNO4/c1-13(2)14(3,4)20-15(19-13)11-6-7-12(17)16(10-11)8-9-18-5/h6-7,10H,8-9H2,1-5H3
InChIKey
RHNJGJHDXQTXFP-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-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

27
Patents

279.16418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17146 156.9
[M+Na]+ 302.15340 166.9
[M-H]- 278.15690 164.5
[M+NH4]+ 297.19800 175.6
[M+K]+ 318.12734 167.5
[M+H-H2O]+ 262.16144 151.6
[M+HCOO]- 324.16238 176.9
[M+CH3COO]- 338.17803 199.3
[M+Na-2H]- 300.13885 162.2
[M]+ 279.16363 163.6
[M]- 279.16473 163.6
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