CID 95566875

Rac-(2r,4r)-4-methyl-2-(5-methylfuran-2-yl)piperidine

Structural Information

Molecular Formula
C11H17NO
SMILES
C[C@@H]1CCN[C@H](C1)C2=CC=C(O2)C
InChI
InChI=1S/C11H17NO/c1-8-5-6-12-10(7-8)11-4-3-9(2)13-11/h3-4,8,10,12H,5-7H2,1-2H3/t8-,10-/m1/s1
InChIKey
VSCIJPMQUFXFGX-PSASIEDQSA-N
Compound name
(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 140.6
[M+Na]+ 202.120228 147.0
[M-H]- 178.123734 144.9
[M+NH4]+ 197.164833 159.3
[M+K]+ 218.094168 145.1
[M+H-H2O]+ 162.128270 134.2
[M+HCOO]- 224.129211 159.0
[M+CH3COO]- 238.144861 178.2
[M+Na-2H]- 200.105676 143.7
[M]+ 179.13046142 136.6
[M]- 179.13155858 136.6
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.