CID 16794100

16797-05-0

Structural Information

Molecular Formula
C14H15NO
SMILES
C1=CC=C(C=C1)C(COC2=CC=CC=C2)N
InChI
InChI=1S/C14H15NO/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10,14H,11,15H2
InChIKey
VPMNXCAPTJKWHO-UHFFFAOYSA-N
Compound name
2-phenoxy-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

213.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 149.0
[M+Na]+ 236.10459 162.6
[M+NH4]+ 231.14919 158.3
[M+K]+ 252.07853 154.7
[M-H]- 212.10809 154.5
[M+Na-2H]- 234.09004 159.1
[M]+ 213.11482 152.5
[M]- 213.11592 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe