CID 155821577

Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C14H24BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(CNCC2)C(=O)OCC
InChI
InChI=1S/C14H24BNO4/c1-6-18-12(17)10-9-16-8-7-11(10)15-19-13(2,3)14(4,5)20-15/h16H,6-9H2,1-5H3
InChIKey
HKSYRSRGLZMDMY-UHFFFAOYSA-N
Compound name
ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17984 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18712 162.5
[M+Na]+ 304.16906 168.9
[M-H]- 280.17256 167.5
[M+NH4]+ 299.21366 179.8
[M+K]+ 320.14300 169.4
[M+H-H2O]+ 264.17710 157.5
[M+HCOO]- 326.17804 177.0
[M+CH3COO]- 340.19369 196.6
[M+Na-2H]- 302.15451 164.8
[M]+ 281.17929 163.3
[M]- 281.18039 163.3
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

No patent data available for this compound.