CID 95566888

Rac-(2r,4r)-2-(5-ethylfuran-2-yl)-4-methylpiperidine

Structural Information

Molecular Formula
C12H19NO
SMILES
CCC1=CC=C(O1)[C@@H]2C[C@H](CCN2)C
InChI
InChI=1S/C12H19NO/c1-3-10-4-5-12(14-10)11-8-9(2)6-7-13-11/h4-5,9,11,13H,3,6-8H2,1-2H3/t9-,11-/m0/s1
InChIKey
TVXUKQIKMWSFQP-ONGXEEELSA-N
Compound name
(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.3
[M+Na]+ 216.135888 151.2
[M-H]- 192.139394 149.4
[M+NH4]+ 211.180493 163.3
[M+K]+ 232.109828 149.0
[M+H-H2O]+ 176.143930 138.6
[M+HCOO]- 238.144871 163.3
[M+CH3COO]- 252.160521 181.2
[M+Na-2H]- 214.121336 147.8
[M]+ 193.14612142 141.6
[M]- 193.14721858 141.6
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.