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]+ 212.08930 141.5
[M+Na]+ 234.07124 147.4
[M-H]- 210.07474 140.9
[M+NH4]+ 229.11584 159.2
[M+K]+ 250.04518 147.2
[M+H-H2O]+ 194.07928 133.8
[M+HCOO]- 256.08022 152.3
[M+CH3COO]- 270.09587 177.8
[M+Na-2H]- 232.05669 147.1
[M]+ 211.08147 131.8
[M]- 211.08257 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.