CID 16228803

3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

Structural Information

Molecular Formula
C8H14F3NO
SMILES
C1CC(CC(C1)OCC(F)(F)F)N
InChI
InChI=1S/C8H14F3NO/c9-8(10,11)5-13-7-3-1-2-6(12)4-7/h6-7H,1-5,12H2
InChIKey
LQYFONUESJVHHK-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.10275 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.110026 140.6
[M+Na]+ 220.091968 146.0
[M-H]- 196.095474 139.0
[M+NH4]+ 215.136573 159.3
[M+K]+ 236.065908 144.2
[M+H-H2O]+ 180.100010 132.6
[M+HCOO]- 242.100951 156.9
[M+CH3COO]- 256.116601 184.7
[M+Na-2H]- 218.077416 143.7
[M]+ 197.10220142 131.6
[M]- 197.10329858 131.6
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.