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]+ 306.222756 176.7
[M+Na]+ 328.204698 178.7
[M-H]- 304.208204 180.3
[M+NH4]+ 323.249303 191.5
[M+K]+ 344.178638 174.1
[M+H-H2O]+ 288.212740 165.6
[M+HCOO]- 350.213681 189.7
[M+CH3COO]- 364.229331 203.2
[M+Na-2H]- 326.190146 178.2
[M]+ 305.21493142 168.2
[M]- 305.21602858 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.