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]+ 180.13829 140.6
[M+Na]+ 202.12023 147.0
[M-H]- 178.12373 144.9
[M+NH4]+ 197.16483 159.3
[M+K]+ 218.09417 145.1
[M+H-H2O]+ 162.12827 134.2
[M+HCOO]- 224.12921 159.0
[M+CH3COO]- 238.14486 178.2
[M+Na-2H]- 200.10568 143.7
[M]+ 179.13046 136.6
[M]- 179.13156 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.