CID 54594038

2-[methyl(2,2,2-trifluoroethyl)amino]ethan-1-ol

Structural Information

Molecular Formula

C₅H₁₀F₃NO

SMILES

CN(CCO)CC(F)(F)F

InChI

InChI=1S/C5H10F3NO/c1-9(2-3-10)4-5(6,7)8/h10H,2-4H2,1H3

InChIKey

YMHYJSJSUSFLMX-UHFFFAOYSA-N

Compound name

2-[methyl(2,2,2-trifluoroethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 157.07144 Da
Monoisotopic Mass: 0.7
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]+	158.07872	129.0
[M+Na]+	180.06066	136.2
[M-H]-	156.06416	125.6
[M+NH4]+	175.10526	149.7
[M+K]+	196.03460	136.2
[M+H-H2O]+	140.06870	122.0
[M+HCOO]-	202.06964	148.7
[M+CH3COO]-	216.08529	179.7
[M+Na-2H]-	178.04611	134.4
[M]+	157.07089	125.5
[M]-	157.07199	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe