CID 121553185

5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane

Structural Information

Molecular Formula
C10H16F3NO
SMILES
C1CNCC2(C1C(F)(F)F)CCOCC2
InChI
InChI=1S/C10H16F3NO/c11-10(12,13)8-1-4-14-7-9(8)2-5-15-6-3-9/h8,14H,1-7H2
InChIKey
HMPMMGLOKNPPGM-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.1184 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12568 149.1
[M+Na]+ 246.10762 153.2
[M-H]- 222.11112 147.3
[M+NH4]+ 241.15222 165.7
[M+K]+ 262.08156 151.2
[M+H-H2O]+ 206.11566 140.1
[M+HCOO]- 268.11660 157.8
[M+CH3COO]- 282.13225 182.0
[M+Na-2H]- 244.09307 154.0
[M]+ 223.11785 135.9
[M]- 223.11895 135.9
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.