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

2
Patents

225.1165 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.123776 149.3
[M+Na]+ 248.105718 155.8
[M-H]- 224.109224 154.7
[M+NH4]+ 243.150323 167.5
[M+K]+ 264.079658 154.5
[M+H-H2O]+ 208.113760 141.8
[M+HCOO]- 270.114701 168.9
[M+CH3COO]- 284.130351 189.8
[M+Na-2H]- 246.091166 154.7
[M]+ 225.11595142 145.2
[M]- 225.11704858 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

patents stripe