CID 11290836

1-carbobenzoxy-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C19H26BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)16-10-12-21(13-11-16)17(22)23-14-15-8-6-5-7-9-15/h5-10H,11-14H2,1-4H3
InChIKey
QDSFHRPYZPQWEJ-UHFFFAOYSA-N
Compound name
benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

343.1955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20278 179.5
[M+Na]+ 366.18472 185.7
[M-H]- 342.18822 188.9
[M+NH4]+ 361.22932 194.5
[M+K]+ 382.15866 185.6
[M+H-H2O]+ 326.19276 172.0
[M+HCOO]- 388.19370 195.3
[M+CH3COO]- 402.20935 209.1
[M+Na-2H]- 364.17017 181.2
[M]+ 343.19495 181.1
[M]- 343.19605 181.1
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