CID 49761088

1426231-87-9

Structural Information

Molecular Formula
C17H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(N(CC2)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C17H30BNO4/c1-12-11-13(18-22-16(5,6)17(7,8)23-18)9-10-19(12)14(20)21-15(2,3)4/h11-12H,9-10H2,1-8H3
InChIKey
YPYJUPOKIAKWHW-UHFFFAOYSA-N
Compound name
tert-butyl 6-methyl-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

36
Patents

323.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23406 171.7
[M+Na]+ 346.21600 178.8
[M-H]- 322.21950 178.4
[M+NH4]+ 341.26060 188.7
[M+K]+ 362.18994 180.3
[M+H-H2O]+ 306.22404 167.6
[M+HCOO]- 368.22498 185.3
[M+CH3COO]- 382.24063 208.4
[M+Na-2H]- 344.20145 174.1
[M]+ 323.22623 175.3
[M]- 323.22733 175.3
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

patents stripe