CID 14686

1231-67-0

Structural Information

Molecular Formula
C19H28FNO
SMILES
C1CCC2(CC1)CCN(CC2)CCCOC3=CC=C(C=C3)F
InChI
InChI=1S/C19H28FNO/c20-17-5-7-18(8-6-17)22-16-4-13-21-14-11-19(12-15-21)9-2-1-3-10-19/h5-8H,1-4,9-16H2
InChIKey
KNKVRBUZFVMBJT-UHFFFAOYSA-N
Compound name
3-[3-(4-fluorophenoxy)propyl]-3-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21548 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.22276 176.7
[M+Na]+ 328.20470 178.7
[M-H]- 304.20820 180.3
[M+NH4]+ 323.24930 191.5
[M+K]+ 344.17864 174.1
[M+H-H2O]+ 288.21274 165.6
[M+HCOO]- 350.21368 189.7
[M+CH3COO]- 364.22933 203.2
[M+Na-2H]- 326.19015 178.2
[M]+ 305.21493 168.2
[M]- 305.21603 168.2
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.