CID 63220684

4-[(3-fluorophenyl)methyl]oxan-4-amine

Structural Information

Molecular Formula
C12H16FNO
SMILES
C1COCCC1(CC2=CC(=CC=C2)F)N
InChI
InChI=1S/C12H16FNO/c13-11-3-1-2-10(8-11)9-12(14)4-6-15-7-5-12/h1-3,8H,4-7,9,14H2
InChIKey
TVDYGDHSWDMGHA-UHFFFAOYSA-N
Compound name
4-[(3-fluorophenyl)methyl]oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1216 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.128876 146.3
[M+Na]+ 232.110818 152.0
[M-H]- 208.114324 151.3
[M+NH4]+ 227.155423 164.9
[M+K]+ 248.084758 150.1
[M+H-H2O]+ 192.118860 138.7
[M+HCOO]- 254.119801 165.7
[M+CH3COO]- 268.135451 186.5
[M+Na-2H]- 230.096266 152.3
[M]+ 209.12105142 140.3
[M]- 209.12214858 140.3
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.