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]+ 210.12888 147.9
[M+Na]+ 232.11082 159.4
[M+NH4]+ 227.15542 158.0
[M+K]+ 248.08476 150.6
[M-H]- 208.11432 152.8
[M+Na-2H]- 230.09627 156.1
[M]+ 209.12105 151.0
[M]- 209.12215 151.0
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.