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]+ 164.124526 134.1
[M+Na]+ 186.106468 139.9
[M-H]- 162.109974 134.0
[M+NH4]+ 181.151073 156.1
[M+K]+ 202.080408 137.9
[M+H-H2O]+ 146.114510 127.5
[M+HCOO]- 208.115451 152.8
[M+CH3COO]- 222.131101 179.7
[M+Na-2H]- 184.091916 138.2
[M]+ 163.11670142 125.8
[M]- 163.11779858 125.8
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.