CID 28958487

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

Structural Information

Molecular Formula
C12H16FNO
SMILES
C1COCCC1NCC2=CC=C(C=C2)F
InChI
InChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)9-14-12-5-7-15-8-6-12/h1-4,12,14H,5-9H2
InChIKey
AWGLYZFIAAEFSE-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

209.1216 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.128876 145.6
[M+Na]+ 232.110818 150.2
[M-H]- 208.114324 150.7
[M+NH4]+ 227.155423 162.4
[M+K]+ 248.084758 148.3
[M+H-H2O]+ 192.118860 137.4
[M+HCOO]- 254.119801 165.6
[M+CH3COO]- 268.135451 187.6
[M+Na-2H]- 230.096266 151.6
[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

patents stripe