CID 45253768

2-cyclopentyl-1-(4-phenoxyphenyl)ethan-1-amine

Structural Information

Molecular Formula
C19H23NO
SMILES
C1CCC(C1)CC(C2=CC=C(C=C2)OC3=CC=CC=C3)N
InChI
InChI=1S/C19H23NO/c20-19(14-15-6-4-5-7-15)16-10-12-18(13-11-16)21-17-8-2-1-3-9-17/h1-3,8-13,15,19H,4-7,14,20H2
InChIKey
QKFUCIVFQJXZAA-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.17798 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 167.9
[M+Na]+ 304.167198 171.2
[M-H]- 280.170704 176.1
[M+NH4]+ 299.211803 184.1
[M+K]+ 320.141138 166.6
[M+H-H2O]+ 264.175240 159.4
[M+HCOO]- 326.176181 189.5
[M+CH3COO]- 340.191831 178.4
[M+Na-2H]- 302.152646 168.6
[M]+ 281.17743142 163.5
[M]- 281.17852858 163.5
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

No patent data available for this compound.