CID 146155209

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

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CC[C@H]([C@@H](C1)N)OC(F)(F)F
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h5-6H,1-4,11H2/t5-,6-/m1/s1
InChIKey
WEFFRKRKZNBSLO-PHDIDXHHSA-N
Compound name
(1R,2R)-2-(trifluoromethoxy)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0871 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 136.0
[M+Na]+ 206.07632 141.8
[M-H]- 182.07982 134.6
[M+NH4]+ 201.12092 155.2
[M+K]+ 222.05026 140.2
[M+H-H2O]+ 166.08436 128.2
[M+HCOO]- 228.08530 152.6
[M+CH3COO]- 242.10095 181.6
[M+Na-2H]- 204.06177 139.6
[M]+ 183.08655 126.6
[M]- 183.08765 126.6
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.