CID 16780912

1-(2-amino-2-phenylethoxy)-3-methoxybenzene

Structural Information

Molecular Formula
C15H17NO2
SMILES
COC1=CC(=CC=C1)OCC(C2=CC=CC=C2)N
InChI
InChI=1S/C15H17NO2/c1-17-13-8-5-9-14(10-13)18-11-15(16)12-6-3-2-4-7-12/h2-10,15H,11,16H2,1H3
InChIKey
MUUVERQZWYRXNM-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenoxy)-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.7
[M+Na]+ 266.11515 161.6
[M-H]- 242.11865 161.7
[M+NH4]+ 261.15975 172.3
[M+K]+ 282.08909 158.6
[M+H-H2O]+ 226.12319 147.8
[M+HCOO]- 288.12413 179.6
[M+CH3COO]- 302.13978 195.3
[M+Na-2H]- 264.10060 160.6
[M]+ 243.12538 156.0
[M]- 243.12648 156.0
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.