CID 83854840

2-(2,2-difluorocyclohexyl)ethan-1-amine

Structural Information

Molecular Formula
C8H15F2N
SMILES
C1CCC(C(C1)CCN)(F)F
InChI
InChI=1S/C8H15F2N/c9-8(10)5-2-1-3-7(8)4-6-11/h7H,1-6,11H2
InChIKey
XSJFAGPYVJQOFX-UHFFFAOYSA-N
Compound name
2-(2,2-difluorocyclohexyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.11725 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12453 136.5
[M+Na]+ 186.10647 144.7
[M+NH4]+ 181.15107 145.5
[M+K]+ 202.08041 136.9
[M-H]- 162.10997 136.2
[M+Na-2H]- 184.09192 141.6
[M]+ 163.11670 137.4
[M]- 163.11780 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.