CID 58070386

1349151-98-9

Structural Information

Molecular Formula
C14H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C=C2)C(C)C
InChI
InChI=1S/C14H22BNO3/c1-10(2)16-9-11(7-8-12(16)17)15-18-13(3,4)14(5,6)19-15/h7-10H,1-6H3
InChIKey
MPMZBWLBVFEODR-UHFFFAOYSA-N
Compound name
1-propan-2-yl-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

150
Patents

263.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17656 153.8
[M+Na]+ 286.15850 163.7
[M-H]- 262.16200 161.5
[M+NH4]+ 281.20310 173.1
[M+K]+ 302.13244 164.2
[M+H-H2O]+ 246.16654 148.9
[M+HCOO]- 308.16748 172.6
[M+CH3COO]- 322.18313 198.1
[M+Na-2H]- 284.14395 157.8
[M]+ 263.16873 158.4
[M]- 263.16983 158.4
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