CID 60922938

1803589-14-1

Structural Information

Molecular Formula

C₈H₁₆F₂N₂

SMILES

C1CN(CCC1CN)CC(F)F

InChI

InChI=1S/C8H16F2N2/c9-8(10)6-12-3-1-7(5-11)2-4-12/h7-8H,1-6,11H2

InChIKey

VRSDQEWRCJCHMH-UHFFFAOYSA-N

Compound name

[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 178.12816 Da
Monoisotopic Mass: 0.9
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]+	179.13544	139.6
[M+Na]+	201.11738	144.2
[M-H]-	177.12088	137.6
[M+NH4]+	196.16198	157.6
[M+K]+	217.09132	142.3
[M+H-H2O]+	161.12542	131.1
[M+HCOO]-	223.12636	156.0
[M+CH3COO]-	237.14201	183.6
[M+Na-2H]-	199.10283	141.3
[M]+	178.12761	130.9
[M]-	178.12871	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe