CID 11821241

Benzyl-n-(2-(2-methoxy-phenoxy)-ethyl)amine hydrochloride

Structural Information

Molecular Formula
C16H19NO2
SMILES
COC1=CC=CC=C1OCCNCC2=CC=CC=C2
InChI
InChI=1S/C16H19NO2/c1-18-15-9-5-6-10-16(15)19-12-11-17-13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3
InChIKey
SZDYRZVWNVIYGO-UHFFFAOYSA-N
Compound name
N-benzyl-2-(2-methoxyphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

257.14157 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 159.1
[M+Na]+ 280.130788 164.8
[M-H]- 256.134294 165.3
[M+NH4]+ 275.175393 175.4
[M+K]+ 296.104728 161.4
[M+H-H2O]+ 240.138830 150.8
[M+HCOO]- 302.139771 184.3
[M+CH3COO]- 316.155421 198.1
[M+Na-2H]- 278.116236 165.8
[M]+ 257.14102142 161.4
[M]- 257.14211858 161.4
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