CID 95241072

2095396-41-9

Structural Information

Molecular Formula
C6H10F3N
SMILES
C1C[C@H](C[C@@H]1C(F)(F)F)N
InChI
InChI=1S/C6H10F3N/c7-6(8,9)4-1-2-5(10)3-4/h4-5H,1-3,10H2/t4-,5-/m1/s1
InChIKey
XDOIOCJYPKXXMK-RFZPGFLSSA-N
Compound name
trans-(1R,3R)-3-(trifluoromethyl)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

153.07654 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.083816 127.9
[M+Na]+ 176.065758 135.0
[M-H]- 152.069264 126.9
[M+NH4]+ 171.110363 150.2
[M+K]+ 192.039698 133.3
[M+H-H2O]+ 136.073800 120.7
[M+HCOO]- 198.074741 146.8
[M+CH3COO]- 212.090391 176.3
[M+Na-2H]- 174.051206 130.9
[M]+ 153.07599142 118.8
[M]- 153.07708858 118.8
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.