CID 3325091

3-(4-methoxyphenoxy)benzylamine hydrochloride

Structural Information

Molecular Formula
C14H15NO2
SMILES
COC1=CC=C(C=C1)OC2=CC=CC(=C2)CN
InChI
InChI=1S/C14H15NO2/c1-16-12-5-7-13(8-6-12)17-14-4-2-3-11(9-14)10-15/h2-9H,10,15H2,1H3
InChIKey
KUDOQUMNVIEJNA-UHFFFAOYSA-N
Compound name
[3-(4-methoxyphenoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

229.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 150.6
[M+Na]+ 252.09950 158.1
[M-H]- 228.10300 157.1
[M+NH4]+ 247.14410 168.1
[M+K]+ 268.07344 154.9
[M+H-H2O]+ 212.10754 143.0
[M+HCOO]- 274.10848 175.8
[M+CH3COO]- 288.12413 192.6
[M+Na-2H]- 250.08495 156.6
[M]+ 229.10973 151.6
[M]- 229.11083 151.6
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

patents stripe