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
trans-(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]+ 182.115106 137.5
[M+Na]+ 204.097048 143.0
[M-H]- 180.100554 136.0
[M+NH4]+ 199.141653 156.9
[M+K]+ 220.070988 140.7
[M+H-H2O]+ 164.105090 129.8
[M+HCOO]- 226.106031 153.6
[M+CH3COO]- 240.121681 182.6
[M+Na-2H]- 202.082496 140.5
[M]+ 181.10728142 127.1
[M]- 181.10837858 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.