CID 105427839

1780822-89-0

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

CC(C1CC(C1)(F)F)N

InChI

InChI=1S/C6H11F2N/c1-4(9)5-2-6(7,8)3-5/h4-5H,2-3,9H2,1H3

InChIKey

MMMZCKISFQKEQO-UHFFFAOYSA-N

Compound name

1-(3,3-difluorocyclobutyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 135.08595 Da
Monoisotopic Mass: 1.1
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]+	136.09323	129.2
[M+Na]+	158.07517	135.4
[M-H]-	134.07867	130.2
[M+NH4]+	153.11977	146.0
[M+K]+	174.04911	137.4
[M+H-H2O]+	118.08321	118.7
[M+HCOO]-	180.08415	148.4
[M+CH3COO]-	194.09980	179.7
[M+Na-2H]-	156.06062	132.8
[M]+	135.08540	132.0
[M]-	135.08650	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.