CID 50989637

4-(trifluoromethyl)oxan-4-amine

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1COCCC1(C(F)(F)F)N
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)5(10)1-3-11-4-2-5/h1-4,10H2
InChIKey
ZDPKOOYOCPVXAL-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

169.07144 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.078716 131.4
[M+Na]+ 192.060658 137.7
[M-H]- 168.064164 130.8
[M+NH4]+ 187.105263 151.6
[M+K]+ 208.034598 137.6
[M+H-H2O]+ 152.068700 124.4
[M+HCOO]- 214.069641 147.5
[M+CH3COO]- 228.085291 176.9
[M+Na-2H]- 190.046106 138.4
[M]+ 169.07089142 122.2
[M]- 169.07198858 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

patents stripe