CID 84762419

2155856-54-3

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

CC1(CCC(C1)(F)F)N

InChI

InChI=1S/C6H11F2N/c1-5(9)2-3-6(7,8)4-5/h2-4,9H2,1H3

InChIKey

KDRXWGKMPVQOAB-UHFFFAOYSA-N

Compound name

3,3-difluoro-1-methylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	122.5
[M+Na]+	158.07517	131.0
[M-H]-	134.07867	123.4
[M+NH4]+	153.11977	149.5
[M+K]+	174.04911	129.5
[M+H-H2O]+	118.08321	117.6
[M+HCOO]-	180.08415	144.1
[M+CH3COO]-	194.09980	173.2
[M+Na-2H]-	156.06062	127.9
[M]+	135.08540	115.9
[M]-	135.08650	115.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe