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 144.5
[M+Na]+ 212.14097 150.0
[M-H]- 188.14447 147.8
[M+NH4]+ 207.18557 162.2
[M+K]+ 228.11491 146.0
[M+H-H2O]+ 172.14901 137.2
[M+HCOO]- 234.14995 162.1
[M+CH3COO]- 248.16560 182.3
[M+Na-2H]- 210.12642 148.3
[M]+ 189.15120 138.4
[M]- 189.15230 138.4
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.