CID 24697797

N-(2,2,2-trifluoroethyl)cyclopentanamine

Structural Information

Molecular Formula
C7H12F3N
SMILES
C1CCC(C1)NCC(F)(F)F
InChI
InChI=1S/C7H12F3N/c8-7(9,10)5-11-6-3-1-2-4-6/h6,11H,1-5H2
InChIKey
YDZJAXDALRSDQG-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.09218 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.099456 132.5
[M+Na]+ 190.081398 138.3
[M-H]- 166.084904 131.5
[M+NH4]+ 185.126003 154.2
[M+K]+ 206.055338 136.7
[M+H-H2O]+ 150.089440 124.8
[M+HCOO]- 212.090381 151.7
[M+CH3COO]- 226.106031 179.0
[M+Na-2H]- 188.066846 136.7
[M]+ 167.09163142 124.5
[M]- 167.09272858 124.5
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