CID 20773371

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

Structural Information

Molecular Formula
C12H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C
InChI
InChI=1S/C12H22BNO2/c1-11(2)12(3,4)16-13(15-11)10-6-8-14(5)9-7-10/h6H,7-9H2,1-5H3
InChIKey
SQMVRFXDBRYXFQ-UHFFFAOYSA-N
Compound name
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1434
Patents

223.17436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.18164 147.1
[M+Na]+ 246.16358 155.0
[M-H]- 222.16708 153.8
[M+NH4]+ 241.20818 167.7
[M+K]+ 262.13752 155.8
[M+H-H2O]+ 206.17162 142.0
[M+HCOO]- 268.17256 164.3
[M+CH3COO]- 282.18821 189.3
[M+Na-2H]- 244.14903 151.7
[M]+ 223.17381 147.4
[M]- 223.17491 147.4
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