CID 54595514

4-methoxy-4-(trifluoromethyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₂F₃NO

SMILES

COC1(CCNCC1)C(F)(F)F

InChI

InChI=1S/C7H12F3NO/c1-12-6(7(8,9)10)2-4-11-5-3-6/h11H,2-5H2,1H3

InChIKey

QANLUEMLYOYQIZ-UHFFFAOYSA-N

Compound name

4-methoxy-4-(trifluoromethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 183.0871 Da
Monoisotopic Mass: 1.1
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]+	184.09438	142.7
[M+Na]+	206.07632	149.5
[M+NH4]+	201.12092	149.4
[M+K]+	222.05026	143.5
[M-H]-	182.07982	138.4
[M+Na-2H]-	204.06177	146.3
[M]+	183.08655	142.1
[M]-	183.08765	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe