CID 63220175

4-(3-fluoro-4-methoxyphenyl)oxan-4-amine

Structural Information

Molecular Formula
C12H16FNO2
SMILES
COC1=C(C=C(C=C1)C2(CCOCC2)N)F
InChI
InChI=1S/C12H16FNO2/c1-15-11-3-2-9(8-10(11)13)12(14)4-6-16-7-5-12/h2-3,8H,4-7,14H2,1H3
InChIKey
OMELEVFIVOEGDI-UHFFFAOYSA-N
Compound name
4-(3-fluoro-4-methoxyphenyl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.1165 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12378 149.3
[M+Na]+ 248.10572 155.8
[M-H]- 224.10922 154.7
[M+NH4]+ 243.15032 167.5
[M+K]+ 264.07966 154.5
[M+H-H2O]+ 208.11376 141.8
[M+HCOO]- 270.11470 168.9
[M+CH3COO]- 284.13035 189.8
[M+Na-2H]- 246.09117 154.7
[M]+ 225.11595 145.2
[M]- 225.11705 145.2
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.