CID 178190445

Rac-1-[(1r,2r)-2,4,4-trifluorocyclohexyl]methanamine hydrochloride

Structural Information

Molecular Formula
C7H12F3N
SMILES
C1CC(C[C@H]([C@H]1CN)F)(F)F
InChI
InChI=1S/C7H12F3N/c8-6-3-7(9,10)2-1-5(6)4-11/h5-6H,1-4,11H2/t5-,6-/m1/s1
InChIKey
USCISLUIZMRDIW-PHDIDXHHSA-N
Compound name
[(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09218 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.099456 131.7
[M+Na]+ 190.081398 139.0
[M-H]- 166.084904 130.8
[M+NH4]+ 185.126003 153.9
[M+K]+ 206.055338 136.8
[M+H-H2O]+ 150.089440 124.7
[M+HCOO]- 212.090381 149.7
[M+CH3COO]- 226.106031 180.6
[M+Na-2H]- 188.066846 135.1
[M]+ 167.09163142 122.2
[M]- 167.09272858 122.2
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.