CID 84763241

2361727-26-4

Structural Information

Molecular Formula

C₆H₁₁F₂NO

SMILES

C1COCC(C1(F)F)CN

InChI

InChI=1S/C6H11F2NO/c7-6(8)1-2-10-4-5(6)3-9/h5H,1-4,9H2

InChIKey

PTAURELGQVTFTG-UHFFFAOYSA-N

Compound name

(4,4-difluorooxan-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 151.08087 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]+	152.08815	128.4
[M+Na]+	174.07009	135.0
[M-H]-	150.07359	129.3
[M+NH4]+	169.11469	149.6
[M+K]+	190.04403	135.0
[M+H-H2O]+	134.07813	122.0
[M+HCOO]-	196.07907	147.1
[M+CH3COO]-	210.09472	175.5
[M+Na-2H]-	172.05554	134.6
[M]+	151.08032	121.5
[M]-	151.08142	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe