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]+ 282.18526 167.9
[M+Na]+ 304.16720 171.2
[M-H]- 280.17070 176.1
[M+NH4]+ 299.21180 184.1
[M+K]+ 320.14114 166.6
[M+H-H2O]+ 264.17524 159.4
[M+HCOO]- 326.17618 189.5
[M+CH3COO]- 340.19183 178.4
[M+Na-2H]- 302.15265 168.6
[M]+ 281.17743 163.5
[M]- 281.17853 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.