CID 50990613

2231674-25-0

Structural Information

Molecular Formula
C9H14F3NO
SMILES
C1CNCCC12CC(C2)(C(F)(F)F)O
InChI
InChI=1S/C9H14F3NO/c10-9(11,12)8(14)5-7(6-8)1-3-13-4-2-7/h13-14H,1-6H2
InChIKey
DIANNDUQQLTYAT-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-7-azaspiro[3.5]nonan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.10275 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11003 147.0
[M+Na]+ 232.09197 152.3
[M-H]- 208.09547 144.5
[M+NH4]+ 227.13657 160.8
[M+K]+ 248.06591 151.8
[M+H-H2O]+ 192.10001 135.8
[M+HCOO]- 254.10095 156.9
[M+CH3COO]- 268.11660 181.1
[M+Na-2H]- 230.07742 152.2
[M]+ 209.10220 144.3
[M]- 209.10330 144.3
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.