CID 165942131

Rac-(2r,4s)-4-methyl-2-(oxan-4-yl)piperidine

Structural Information

Molecular Formula
C11H21NO
SMILES
C[C@@H]1CCN[C@@H](C1)C2CCOCC2
InChI
InChI=1S/C11H21NO/c1-9-2-5-12-11(8-9)10-3-6-13-7-4-10/h9-12H,2-8H2,1H3/t9-,11+/m1/s1
InChIKey
CAOJLWLEKZMRDQ-KOLCDFICSA-N
Compound name
(2S,4R)-4-methyl-2-(oxan-4-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.16231 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.169586 144.9
[M+Na]+ 206.151528 147.1
[M-H]- 182.155034 147.6
[M+NH4]+ 201.196133 160.8
[M+K]+ 222.125468 145.7
[M+H-H2O]+ 166.159570 137.4
[M+HCOO]- 228.160511 158.0
[M+CH3COO]- 242.176161 178.3
[M+Na-2H]- 204.136976 148.0
[M]+ 183.16176142 135.3
[M]- 183.16285858 135.3
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

No patent data available for this compound.