CID 73994757

8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-amine

Structural Information

Molecular Formula
C9H14F3NO2
SMILES
C1CC2(CCC1(C(F)(F)F)N)OCCO2
InChI
InChI=1S/C9H14F3NO2/c10-9(11,12)7(13)1-3-8(4-2-7)14-5-6-15-8/h1-6,13H2
InChIKey
TYRJYMGLJBGINF-UHFFFAOYSA-N
Compound name
8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09766 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10494 144.3
[M+Na]+ 248.08688 150.4
[M-H]- 224.09038 146.2
[M+NH4]+ 243.13148 164.9
[M+K]+ 264.06082 150.7
[M+H-H2O]+ 208.09492 137.8
[M+HCOO]- 270.09586 158.0
[M+CH3COO]- 284.11151 184.7
[M+Na-2H]- 246.07233 150.9
[M]+ 225.09711 135.1
[M]- 225.09821 135.1
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.