CID 83854893

(4,4-difluoro-1-methylpiperidin-3-yl)methanamine

Structural Information

Molecular Formula

C₇H₁₄F₂N₂

SMILES

CN1CCC(C(C1)CN)(F)F

InChI

InChI=1S/C7H14F2N2/c1-11-3-2-7(8,9)6(4-10)5-11/h6H,2-5,10H2,1H3

InChIKey

WAGFPUSMLPSDHU-UHFFFAOYSA-N

Compound name

(4,4-difluoro-1-methylpiperidin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 164.1125 Da
Monoisotopic Mass: 0.4
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]+	165.11978	133.4
[M+Na]+	187.10172	140.6
[M-H]-	163.10522	132.4
[M+NH4]+	182.14632	154.4
[M+K]+	203.07566	138.8
[M+H-H2O]+	147.10976	126.3
[M+HCOO]-	209.11070	151.2
[M+CH3COO]-	223.12635	180.4
[M+Na-2H]-	185.08717	137.4
[M]+	164.11195	125.7
[M]-	164.11305	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe