CID 10586714

Schembl3240363

Structural Information

Molecular Formula
C14H19NO3
SMILES
C[C@@H]1C[C@@H](CCN1C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C14H19NO3/c1-11-9-13(16)7-8-15(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13-/m1/s1
InChIKey
LGJNBRYQEIZFMK-DGCLKSJQSA-N
Compound name
benzyl (2R,4R)-4-hydroxy-2-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.13649 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.9
[M+Na]+ 272.12571 162.9
[M-H]- 248.12921 161.2
[M+NH4]+ 267.17031 172.9
[M+K]+ 288.09965 160.2
[M+H-H2O]+ 232.13375 150.0
[M+HCOO]- 294.13469 175.0
[M+CH3COO]- 308.15034 190.3
[M+Na-2H]- 270.11116 160.0
[M]+ 249.13594 155.0
[M]- 249.13704 155.0
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