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]+ 236.16451 155.5
[M+Na]+ 258.14645 160.6
[M-H]- 234.14995 161.4
[M+NH4]+ 253.19105 174.5
[M+K]+ 274.12039 158.4
[M+H-H2O]+ 218.15449 148.6
[M+HCOO]- 280.15543 177.6
[M+CH3COO]- 294.17108 194.0
[M+Na-2H]- 256.13190 155.9
[M]+ 235.15668 153.8
[M]- 235.15778 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.