CID 96628449

Rac-(1r,2r)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C8H14F3N
SMILES
C1CC[C@H]([C@H](C1)CC(F)(F)F)N
InChI
InChI=1S/C8H14F3N/c9-8(10,11)5-6-3-1-2-4-7(6)12/h6-7H,1-5,12H2/t6-,7-/m1/s1
InChIKey
WSUQSKKRQJAQFI-RNFRBKRXSA-N
Compound name
(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.10783 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11511 137.5
[M+Na]+ 204.09705 143.0
[M-H]- 180.10055 136.0
[M+NH4]+ 199.14165 156.9
[M+K]+ 220.07099 140.7
[M+H-H2O]+ 164.10509 129.8
[M+HCOO]- 226.10603 153.6
[M+CH3COO]- 240.12168 182.6
[M+Na-2H]- 202.08250 140.5
[M]+ 181.10728 127.1
[M]- 181.10838 127.1
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.