CID 81930979

2413898-06-1

Structural Information

Molecular Formula

C₈H₁₅F₂N

SMILES

CNCC1CCC(CC1)(F)F

InChI

InChI=1S/C8H15F2N/c1-11-6-7-2-4-8(9,10)5-3-7/h7,11H,2-6H2,1H3

InChIKey

NCLAVXGJPNRUEN-UHFFFAOYSA-N

Compound name

1-(4,4-difluorocyclohexyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 163.11725 Da
Monoisotopic Mass: 1.9
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]+	164.12453	133.4
[M+Na]+	186.10647	139.2
[M-H]-	162.10997	133.9
[M+NH4]+	181.15107	155.7
[M+K]+	202.08041	137.6
[M+H-H2O]+	146.11451	126.8
[M+HCOO]-	208.11545	152.8
[M+CH3COO]-	222.13110	180.4
[M+Na-2H]-	184.09192	138.6
[M]+	163.11670	126.1
[M]-	163.11780	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe