CID 165588881

En300-36599768

Structural Information

Molecular Formula
C7H12F3N
SMILES
C1C[C@H]([C@@H]1CCN)C(F)(F)F
InChI
InChI=1S/C7H12F3N/c8-7(9,10)6-2-1-5(6)3-4-11/h5-6H,1-4,11H2/t5-,6+/m0/s1
InChIKey
CPJPQKIOTZKMMR-NTSWFWBYSA-N
Compound name
2-[(1S,2R)-2-(trifluoromethyl)cyclobutyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09218 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.099456 135.0
[M+Na]+ 190.081398 140.7
[M-H]- 166.084904 134.2
[M+NH4]+ 185.126003 148.7
[M+K]+ 206.055338 141.9
[M+H-H2O]+ 150.089440 122.5
[M+HCOO]- 212.090381 152.3
[M+CH3COO]- 226.106031 184.7
[M+Na-2H]- 188.066846 138.2
[M]+ 167.09163142 136.7
[M]- 167.09272858 136.7
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

No patent data available for this compound.