CID 21105461

1,2,3,6-tetrahydropyridine-4-boronic acid, pinacol ester hydrochloride

Structural Information

Molecular Formula
C11H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCNCC2
InChI
InChI=1S/C11H20BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5,13H,6-8H2,1-4H3
InChIKey
AIPUNCFCQBDNDJ-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

604
Patents

209.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.16598 144.9
[M+Na]+ 232.14792 151.8
[M-H]- 208.15142 150.0
[M+NH4]+ 227.19252 165.0
[M+K]+ 248.12186 151.9
[M+H-H2O]+ 192.15596 139.9
[M+HCOO]- 254.15690 160.8
[M+CH3COO]- 268.17255 182.6
[M+Na-2H]- 230.13337 150.0
[M]+ 209.15815 142.6
[M]- 209.15925 142.6
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