CID 11601316

3-(2-methoxyphenoxy)-3-phenylpropan-1-amine hydrochloride

Structural Information

Molecular Formula
C16H19NO2
SMILES
COC1=CC=CC=C1OC(CCN)C2=CC=CC=C2
InChI
InChI=1S/C16H19NO2/c1-18-15-9-5-6-10-16(15)19-14(11-12-17)13-7-3-2-4-8-13/h2-10,14H,11-12,17H2,1H3
InChIKey
YMASWMGBWHSISX-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenoxy)-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

257.14157 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 160.4
[M+Na]+ 280.13079 165.7
[M-H]- 256.13429 166.1
[M+NH4]+ 275.17539 176.3
[M+K]+ 296.10473 162.6
[M+H-H2O]+ 240.13883 152.2
[M+HCOO]- 302.13977 183.9
[M+CH3COO]- 316.15542 198.3
[M+Na-2H]- 278.11624 164.7
[M]+ 257.14102 161.0
[M]- 257.14212 161.0
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