CID 487546

5-phenoxy-5,6,7,8-tetrahydroquinoline

Structural Information

Molecular Formula
C15H15NO
SMILES
C1CC(C2=C(C1)N=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C15H15NO/c1-2-6-12(7-3-1)17-15-10-4-9-14-13(15)8-5-11-16-14/h1-3,5-8,11,15H,4,9-10H2
InChIKey
VTNBUNMVKDDKOK-UHFFFAOYSA-N
Compound name
5-phenoxy-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 149.5
[M+Na]+ 248.10459 155.9
[M-H]- 224.10809 154.9
[M+NH4]+ 243.14919 166.7
[M+K]+ 264.07853 151.7
[M+H-H2O]+ 208.11263 140.8
[M+HCOO]- 270.11357 169.3
[M+CH3COO]- 284.12922 161.3
[M+Na-2H]- 246.09004 157.5
[M]+ 225.11482 146.9
[M]- 225.11592 146.9
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.