CID 112756500

9-(trifluoromethyl)-6-azaspiro[3.5]nonane

Structural Information

Molecular Formula
C9H14F3N
SMILES
C1CC2(C1)CNCCC2C(F)(F)F
InChI
InChI=1S/C9H14F3N/c10-9(11,12)7-2-5-13-6-8(7)3-1-4-8/h7,13H,1-6H2
InChIKey
DBAQCURGWZIETB-UHFFFAOYSA-N
Compound name
9-(trifluoromethyl)-6-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.10783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11511 140.9
[M+Na]+ 216.09705 145.7
[M-H]- 192.10055 139.3
[M+NH4]+ 211.14165 154.1
[M+K]+ 232.07099 145.5
[M+H-H2O]+ 176.10509 128.4
[M+HCOO]- 238.10603 152.1
[M+CH3COO]- 252.12168 181.9
[M+Na-2H]- 214.08250 145.6
[M]+ 193.10728 138.1
[M]- 193.10838 138.1
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.