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]+ 184.16959 144.9
[M+Na]+ 206.15153 147.1
[M-H]- 182.15503 147.6
[M+NH4]+ 201.19613 160.8
[M+K]+ 222.12547 145.7
[M+H-H2O]+ 166.15957 137.4
[M+HCOO]- 228.16051 158.0
[M+CH3COO]- 242.17616 178.3
[M+Na-2H]- 204.13698 148.0
[M]+ 183.16176 135.3
[M]- 183.16286 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.