CID 22685049

2-[3-(3-phenylpropoxy)phenyl]ethan-1-amine

Structural Information

Molecular Formula
C17H21NO
SMILES
C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)CCN
InChI
InChI=1S/C17H21NO/c18-12-11-16-8-4-10-17(14-16)19-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,14H,5,9,11-13,18H2
InChIKey
PLEPJSOEIOUDKO-UHFFFAOYSA-N
Compound name
2-[3-(3-phenylpropoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 161.0
[M+Na]+ 278.15153 166.4
[M-H]- 254.15503 166.5
[M+NH4]+ 273.19613 177.2
[M+K]+ 294.12547 161.8
[M+H-H2O]+ 238.15957 152.8
[M+HCOO]- 300.16051 185.0
[M+CH3COO]- 314.17616 198.4
[M+Na-2H]- 276.13698 166.1
[M]+ 255.16176 161.2
[M]- 255.16286 161.2
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.