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]+ 210.12888 146.9
[M+Na]+ 232.11082 151.2
[M-H]- 208.11432 151.6
[M+NH4]+ 227.15542 163.3
[M+K]+ 248.08476 149.5
[M+H-H2O]+ 192.11886 138.8
[M+HCOO]- 254.11980 165.3
[M+CH3COO]- 268.13545 187.9
[M+Na-2H]- 230.09627 150.6
[M]+ 209.12105 140.0
[M]- 209.12215 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.