CID 22286514

1-(aminooxy)-4,4,4-trifluorobutan-2-ol

Structural Information

Molecular Formula

C₄H₈F₃NO₂

SMILES

C(C(CON)O)C(F)(F)F

InChI

InChI=1S/C4H8F3NO2/c5-4(6,7)1-3(9)2-10-8/h3,9H,1-2,8H2

InChIKey

HFNGILSDCJAOLB-UHFFFAOYSA-N

Compound name

1-aminooxy-4,4,4-trifluorobutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 159.05072 Da
Monoisotopic Mass: 0.2
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]+	160.05800	127.9
[M+Na]+	182.03994	135.0
[M-H]-	158.04344	122.6
[M+NH4]+	177.08454	147.5
[M+K]+	198.01388	134.4
[M+H-H2O]+	142.04798	121.1
[M+HCOO]-	204.04892	146.0
[M+CH3COO]-	218.06457	175.4
[M+Na-2H]-	180.02539	132.3
[M]+	159.05017	122.5
[M]-	159.05127	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe