CID 21016048

1-(4,4-difluorocyclohexyl)ethan-1-amine

Structural Information

Molecular Formula
C8H15F2N
SMILES
CC(C1CCC(CC1)(F)F)N
InChI
InChI=1S/C8H15F2N/c1-6(11)7-2-4-8(9,10)5-3-7/h6-7H,2-5,11H2,1H3
InChIKey
PQXBNSCUACNFMG-UHFFFAOYSA-N
Compound name
1-(4,4-difluorocyclohexyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

163.11725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.124526 134.6
[M+Na]+ 186.106468 140.2
[M-H]- 162.109974 134.6
[M+NH4]+ 181.151073 156.6
[M+K]+ 202.080408 138.7
[M+H-H2O]+ 146.114510 128.2
[M+HCOO]- 208.115451 152.4
[M+CH3COO]- 222.131101 180.6
[M+Na-2H]- 184.091916 137.5
[M]+ 163.11670142 125.7
[M]- 163.11779858 125.7
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

patents stripe