CID 28372082

Rac-(2r,3s)-3-methyl-2-(4-methylphenyl)piperidine

Structural Information

Molecular Formula
C13H19N
SMILES
C[C@@H]1CCCN[C@@H]1C2=CC=C(C=C2)C
InChI
InChI=1S/C13H19N/c1-10-5-7-12(8-6-10)13-11(2)4-3-9-14-13/h5-8,11,13-14H,3-4,9H2,1-2H3/t11-,13+/m1/s1
InChIKey
HKWHMGVCYMBYQB-YPMHNXCESA-N
Compound name
(2S,3R)-3-methyl-2-(4-methylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 145.3
[M+Na]+ 212.14097 158.8
[M+NH4]+ 207.18557 154.9
[M+K]+ 228.11491 150.7
[M-H]- 188.14447 149.7
[M+Na-2H]- 210.12642 153.2
[M]+ 189.15120 148.5
[M]- 189.15230 148.5
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.