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]+ 194.15395 145.3
[M+Na]+ 216.13589 151.2
[M-H]- 192.13939 149.4
[M+NH4]+ 211.18049 163.3
[M+K]+ 232.10983 149.0
[M+H-H2O]+ 176.14393 138.6
[M+HCOO]- 238.14487 163.3
[M+CH3COO]- 252.16052 181.2
[M+Na-2H]- 214.12134 147.8
[M]+ 193.14612 141.6
[M]- 193.14722 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.