CID 46738023

1257651-11-8

Structural Information

Molecular Formula
C15H28BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(NC(C2)(C)C)(C)C
InChI
InChI=1S/C15H28BNO2/c1-12(2)9-11(10-13(3,4)17-12)16-18-14(5,6)15(7,8)19-16/h9,17H,10H2,1-8H3
InChIKey
YYVIRFZZNQUTKP-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

265.2213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.22858 151.2
[M+Na]+ 288.21052 160.4
[M-H]- 264.21402 157.3
[M+NH4]+ 283.25512 173.8
[M+K]+ 304.18446 160.5
[M+H-H2O]+ 248.21856 148.2
[M+HCOO]- 310.21950 166.1
[M+CH3COO]- 324.23515 197.0
[M+Na-2H]- 286.19597 156.7
[M]+ 265.22075 152.5
[M]- 265.22185 152.5
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