CID 487547

5-phenoxy-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C15H15NO
SMILES
C1CC2=C(C=CC=C2OC3=CC=CC=C3)NC1
InChI
InChI=1S/C15H15NO/c1-2-6-12(7-3-1)17-15-10-4-9-14-13(15)8-5-11-16-14/h1-4,6-7,9-10,16H,5,8,11H2
InChIKey
NHKMZUGBCUFWQJ-UHFFFAOYSA-N
Compound name
5-phenoxy-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

225.11537 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 149.6
[M+Na]+ 248.10459 155.6
[M-H]- 224.10809 153.6
[M+NH4]+ 243.14919 166.1
[M+K]+ 264.07853 150.5
[M+H-H2O]+ 208.11263 141.2
[M+HCOO]- 270.11357 167.9
[M+CH3COO]- 284.12922 160.7
[M+Na-2H]- 246.09004 157.2
[M]+ 225.11482 145.2
[M]- 225.11592 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.