CID 24711278

4-[(2,2,2-trifluoroethoxy)methyl]piperidine hydrochloride

Structural Information

Molecular Formula

C₈H₁₄F₃NO

SMILES

C1CNCCC1COCC(F)(F)F

InChI

InChI=1S/C8H14F3NO/c9-8(10,11)6-13-5-7-1-3-12-4-2-7/h7,12H,1-6H2

InChIKey

RALNDHPVNBOEST-UHFFFAOYSA-N

Compound name

4-(2,2,2-trifluoroethoxymethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 197.10275 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.110026	141.9
[M+Na]+	220.091968	146.8
[M-H]-	196.095474	137.6
[M+NH4]+	215.136573	158.8
[M+K]+	236.065908	144.4
[M+H-H2O]+	180.100010	133.2
[M+HCOO]-	242.100951	155.0
[M+CH3COO]-	256.116601	179.4
[M+Na-2H]-	218.077416	145.9
[M]+	197.10220142	133.0
[M]-	197.10329858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe