CID 53401460

2126177-46-4

Structural Information

Molecular Formula

C₇H₁₂F₃NO

SMILES

C1CNCCC1(CO)C(F)(F)F

InChI

InChI=1S/C7H12F3NO/c8-7(9,10)6(5-12)1-3-11-4-2-6/h11-12H,1-5H2

InChIKey

PPNUUANHKROZNO-UHFFFAOYSA-N

Compound name

[4-(trifluoromethyl)piperidin-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 183.0871 Da
Monoisotopic Mass: 0.8
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]+	184.094376	137.9
[M+Na]+	206.076318	143.7
[M-H]-	182.079824	132.8
[M+NH4]+	201.120923	156.7
[M+K]+	222.050258	141.0
[M+H-H2O]+	166.084360	130.6
[M+HCOO]-	228.085301	149.9
[M+CH3COO]-	242.100951	173.3
[M+Na-2H]-	204.061766	143.1
[M]+	183.08655142	127.1
[M]-	183.08764858	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe