CID 89173911

Schembl13804590

Structural Information

Molecular Formula

C₈H₁₅F₂N

SMILES

CC1(CCC(CC1)(F)F)NC

InChI

InChI=1S/C8H15F2N/c1-7(11-2)3-5-8(9,10)6-4-7/h11H,3-6H2,1-2H3

InChIKey

PCTCWPUPFKKDCQ-UHFFFAOYSA-N

Compound name

4,4-difluoro-N,1-dimethylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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]+	164.124526	132.0
[M+Na]+	186.106468	138.7
[M-H]-	162.109974	132.9
[M+NH4]+	181.151073	156.4
[M+K]+	202.080408	137.5
[M+H-H2O]+	146.114510	126.3
[M+HCOO]-	208.115451	151.4
[M+CH3COO]-	222.131101	180.2
[M+Na-2H]-	184.091916	138.4
[M]+	163.11670142	125.1
[M]-	163.11779858	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe