CID 146155530

7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane

Structural Information

Molecular Formula
C8H12F3NO2
SMILES
C1CNC(CC12OCCO2)C(F)(F)F
InChI
InChI=1S/C8H12F3NO2/c9-8(10,11)6-5-7(1-2-12-6)13-3-4-14-7/h6,12H,1-5H2
InChIKey
MEKCBDLUTVMADU-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08202 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.089296 141.5
[M+Na]+ 234.071238 147.4
[M-H]- 210.074744 140.9
[M+NH4]+ 229.115843 159.2
[M+K]+ 250.045178 147.2
[M+H-H2O]+ 194.079280 133.8
[M+HCOO]- 256.080221 152.3
[M+CH3COO]- 270.095871 177.8
[M+Na-2H]- 232.056686 147.1
[M]+ 211.08147142 131.8
[M]- 211.08256858 131.8
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.