CID 84020616

2248301-55-3

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

CNC1CCC(C1)(F)F

InChI

InChI=1S/C6H11F2N/c1-9-5-2-3-6(7,8)4-5/h5,9H,2-4H2,1H3

InChIKey

CODQFIKXMORBLY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 135.08595 Da
Monoisotopic Mass: 1.4
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	123.6
[M+Na]+	158.07517	131.1
[M-H]-	134.07867	124.6
[M+NH4]+	153.11977	148.9
[M+K]+	174.04911	129.9
[M+H-H2O]+	118.08321	117.7
[M+HCOO]-	180.08415	145.8
[M+CH3COO]-	194.09980	174.1
[M+Na-2H]-	156.06062	128.8
[M]+	135.08540	117.7
[M]-	135.08650	117.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe