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]+ 168.09946 131.7
[M+Na]+ 190.08140 139.0
[M-H]- 166.08490 130.8
[M+NH4]+ 185.12600 153.9
[M+K]+ 206.05534 136.8
[M+H-H2O]+ 150.08944 124.7
[M+HCOO]- 212.09038 149.7
[M+CH3COO]- 226.10603 180.6
[M+Na-2H]- 188.06685 135.1
[M]+ 167.09163 122.2
[M]- 167.09273 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.