CID 90134673

2089649-04-5

Structural Information

Molecular Formula

C₅H₁₁F₂NO

SMILES

CC(C)(C(CN)(F)F)O

InChI

InChI=1S/C5H11F2NO/c1-4(2,9)5(6,7)3-8/h9H,3,8H2,1-2H3

InChIKey

IIGYDTDOGNKCHP-UHFFFAOYSA-N

Compound name

4-amino-3,3-difluoro-2-methylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 139.08087 Da
Monoisotopic Mass: -0.1
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]+	140.08815	126.8
[M+Na]+	162.07009	134.0
[M-H]-	138.07359	123.0
[M+NH4]+	157.11469	147.4
[M+K]+	178.04403	133.1
[M+H-H2O]+	122.07813	121.6
[M+HCOO]-	184.07907	144.7
[M+CH3COO]-	198.09472	173.8
[M+Na-2H]-	160.05554	133.2
[M]+	139.08032	121.8
[M]-	139.08142	121.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe