CID 124523410

Benzyl (2s,5s)-5-(hydroxymethyl)-2-methyl-piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H21NO3
SMILES
C[C@H]1CC[C@@H](CN1C(=O)OCC2=CC=CC=C2)CO
InChI
InChI=1S/C15H21NO3/c1-12-7-8-14(10-17)9-16(12)15(18)19-11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3/t12-,14-/m0/s1
InChIKey
NRBMSSRNBMTDSV-JSGCOSHPSA-N
Compound name
benzyl (2S,5S)-5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 162.5
[M+Na]+ 286.14135 167.0
[M-H]- 262.14485 165.5
[M+NH4]+ 281.18595 176.8
[M+K]+ 302.11529 164.0
[M+H-H2O]+ 246.14939 154.3
[M+HCOO]- 308.15033 179.2
[M+CH3COO]- 322.16598 193.3
[M+Na-2H]- 284.12680 164.0
[M]+ 263.15158 159.9
[M]- 263.15268 159.9
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

No patent data available for this compound.