CID 137965827

2230803-41-3

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1COC[C@@H]([C@@H]1N)C(F)(F)F
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)4-3-11-2-1-5(4)10/h4-5H,1-3,10H2/t4-,5+/m0/s1
InChIKey
JMKSRNRTEXVZPV-CRCLSJGQSA-N
Compound name
(3R,4R)-3-(trifluoromethyl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.07144 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07872 131.8
[M+Na]+ 192.06066 138.2
[M-H]- 168.06416 131.3
[M+NH4]+ 187.10526 150.4
[M+K]+ 208.03460 137.8
[M+H-H2O]+ 152.06870 124.2
[M+HCOO]- 214.06964 147.9
[M+CH3COO]- 228.08529 178.5
[M+Na-2H]- 190.04611 137.0
[M]+ 169.07089 122.8
[M]- 169.07199 122.8
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.