CID 53403552

867008-81-9

Structural Information

Molecular Formula

C₆H₁₂F₂N₂

SMILES

C1CN(CC1(F)F)CCN

InChI

InChI=1S/C6H12F2N2/c7-6(8)1-3-10(5-6)4-2-9/h1-5,9H2

InChIKey

LBIOMKUSKYNSCF-UHFFFAOYSA-N

Compound name

2-(3,3-difluoropyrrolidin-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 150.09685 Da
Monoisotopic Mass: 0.1
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]+	151.10413	127.8
[M+Na]+	173.08607	135.4
[M-H]-	149.08957	126.8
[M+NH4]+	168.13067	150.9
[M+K]+	189.06001	133.8
[M+H-H2O]+	133.09411	120.7
[M+HCOO]-	195.09505	148.2
[M+CH3COO]-	209.11070	176.0
[M+Na-2H]-	171.07152	132.0
[M]+	150.09630	121.5
[M]-	150.09740	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe