CID 62904946

1339684-69-3

Structural Information

Molecular Formula
C12H16FNO
SMILES
C1COCCC1C(C2=CC=C(C=C2)F)N
InChI
InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-4,10,12H,5-8,14H2
InChIKey
YLPBABRLRUVRGD-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-(oxan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1216 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.128876 146.9
[M+Na]+ 232.110818 151.2
[M-H]- 208.114324 151.6
[M+NH4]+ 227.155423 163.3
[M+K]+ 248.084758 149.5
[M+H-H2O]+ 192.118860 138.8
[M+HCOO]- 254.119801 165.3
[M+CH3COO]- 268.135451 187.9
[M+Na-2H]- 230.096266 150.6
[M]+ 209.12105142 140.0
[M]- 209.12214858 140.0
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.