CID 16791131

1-[4-(cyclopentyloxy)-3-methoxyphenyl]ethan-1-amine

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C1=CC(=C(C=C1)OC2CCCC2)OC)N
InChI
InChI=1S/C14H21NO2/c1-10(15)11-7-8-13(14(9-11)16-2)17-12-5-3-4-6-12/h7-10,12H,3-6,15H2,1-2H3
InChIKey
RZGNZRQYSDWAFX-UHFFFAOYSA-N
Compound name
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 155.5
[M+Na]+ 258.146448 160.6
[M-H]- 234.149954 161.4
[M+NH4]+ 253.191053 174.5
[M+K]+ 274.120388 158.4
[M+H-H2O]+ 218.154490 148.6
[M+HCOO]- 280.155431 177.6
[M+CH3COO]- 294.171081 194.0
[M+Na-2H]- 256.131896 155.9
[M]+ 235.15668142 153.8
[M]- 235.15777858 153.8
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.