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

55
Patents

169.07144 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07872 131.4
[M+Na]+ 192.06066 137.7
[M-H]- 168.06416 130.8
[M+NH4]+ 187.10526 151.6
[M+K]+ 208.03460 137.6
[M+H-H2O]+ 152.06870 124.4
[M+HCOO]- 214.06964 147.5
[M+CH3COO]- 228.08529 176.9
[M+Na-2H]- 190.04611 138.4
[M]+ 169.07089 122.2
[M]- 169.07199 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