CID 66744469

1225062-60-1

Structural Information

Molecular Formula
C17H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H24BNO2/c1-16(2)17(3,4)21-18(20-16)14-10-12-19(13-11-14)15-8-6-5-7-9-15/h5-10H,11-13H2,1-4H3
InChIKey
GBKSLFBOVVPQSF-UHFFFAOYSA-N
Compound name
1-phenyl-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

17
Patents

285.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19728 164.9
[M+Na]+ 308.17922 172.2
[M-H]- 284.18272 174.6
[M+NH4]+ 303.22382 182.5
[M+K]+ 324.15316 171.3
[M+H-H2O]+ 268.18726 157.5
[M+HCOO]- 330.18820 181.9
[M+CH3COO]- 344.20385 177.0
[M+Na-2H]- 306.16467 168.4
[M]+ 285.18945 164.4
[M]- 285.19055 164.4
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