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]+ 198.11003 140.6
[M+Na]+ 220.09197 146.0
[M-H]- 196.09547 139.0
[M+NH4]+ 215.13657 159.3
[M+K]+ 236.06591 144.2
[M+H-H2O]+ 180.10001 132.6
[M+HCOO]- 242.10095 156.9
[M+CH3COO]- 256.11660 184.7
[M+Na-2H]- 218.07742 143.7
[M]+ 197.10220 131.6
[M]- 197.10330 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.