CID 3052539

68968-08-1

Structural Information

Molecular Formula
C15H16ClNO
SMILES
COC1=CC=C(C=C1)C(CC2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C15H16ClNO/c1-18-14-7-5-12(6-8-14)15(17)10-11-3-2-4-13(16)9-11/h2-9,15H,10,17H2,1H3
InChIKey
ASVAQEWAKNILRB-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-1-(4-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.09204 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09932 159.1
[M+Na]+ 284.08126 166.8
[M-H]- 260.08476 165.2
[M+NH4]+ 279.12586 176.2
[M+K]+ 300.05520 161.4
[M+H-H2O]+ 244.08930 152.4
[M+HCOO]- 306.09024 178.2
[M+CH3COO]- 320.10589 198.1
[M+Na-2H]- 282.06671 162.7
[M]+ 261.09149 160.7
[M]- 261.09259 160.7
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.