CID 47003171

(2,2-difluoroethyl)(2-methoxyethyl)amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁F₂NO

SMILES

COCCNCC(F)F

InChI

InChI=1S/C5H11F2NO/c1-9-3-2-8-4-5(6)7/h5,8H,2-4H2,1H3

InChIKey

GGOBQEUBVUEHEL-UHFFFAOYSA-N

Compound name

2,2-difluoro-N-(2-methoxyethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 139.08087 Da
Monoisotopic Mass: 0.5
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	126.6
[M+Na]+	162.07009	133.1
[M-H]-	138.07359	124.1
[M+NH4]+	157.11469	147.9
[M+K]+	178.04403	133.2
[M+H-H2O]+	122.07813	119.8
[M+HCOO]-	184.07907	148.8
[M+CH3COO]-	198.09472	177.3
[M+Na-2H]-	160.05554	131.9
[M]+	139.08032	125.0
[M]-	139.08142	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe